SCHEMBL940841

SCHEMBL940841

O=S(=O)([O-])C(C=Cc1ccccc1)=Cc1ccccc1.[Na+]

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
ALDH1A1 P00352 3/20 0.47
PLIN1 O60240 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
RECQL P46063 2/20 0.47
PLIN5 Q00G26 2/20 0.47
ABHD5 Q8WTS1 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
TNKS O95271 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL210090 0.81 MAPT (0.50) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7554768 0.80 AKR1C3 (0.38) ALDH1A1TSHR
SCHEMBL2480621 0.79 MAPT (0.47) HDAC3HDAC4HDAC1HDAC2HDAC8
Lithium Ion SCHEMBL29248324 0.78 ALDH1A1 (0.37) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL18492569 0.75 FBP1 (0.42) ALDH1A1CYP2C9TSHR
SCHEMBL18492573 0.75 FBP1 (0.42) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL3673702 0.75 MAOB (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL3671132 0.75 CYP1B1 (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL3671136 0.75 CYP1B1 (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL3673698 0.75 MAOB (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111944247-A Preparation method of uniform silicon dioxide microspheres 无锡迈科为生物科技有限公司 2020-11-17 CN claimed
CN-111944247-A Preparation method of uniform silicon dioxide microspheres 无锡迈科为生物科技有限公司 2020-11-17 CN disclosed
EP-1777764-B1 GELLING AGENT FOR ALKALINE BATTERY AND ALKALINE BATTERY SANYO CHEMICAL IND LTD (JP) 2014-05-07 EP disclosed
US-7866806-B2 Liquid-composition set, and liquid-applying method and liquid-applying apparatus employing the set CANON KABUSHIKI KAISHA (JP) 2011-01-11 US disclosed
US-7838156-B2 Thickener for alkaline battery and alkaline battery SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-23 US disclosed
EP-1798791-B1 THICKENER FOR ALKALINE BATTERY AND ALKALINE BATTERY SANYO CHEMICAL IND LTD (JP) 2010-11-03 EP disclosed
US-7579115-B2 mixing gelling agent crosslinked poly(meth)acrylate(salt), an alkaline electrolyte (e.g. a high-concentration aqueous solution of potassium hydroxide, contains zinc powder) so as to prepare a gelling agent for use in an alkaline battery having a gel-form negative electrode; impact resistance SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-25 US disclosed
US-7303818-B2 Electrophoretic particles, electrophoretic dispersion liquid, and electrophoretic display device CANON KABUSIHI KAISHA (JP) 2007-12-04 US disclosed
US-20070259269-A1 long term retention of discharge characteristics and improved impact resistance; zinc powder, potassium hydroxide; mixture of a crosslinked acrylic polymer with crosslinking agent that is hydrolytically decomposable (ester) and a crosslinked polymer with crosslinking agent that is nonhydrolyzable (allyl) SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2007-11-08 US disclosed
US-20070231703-A1 mixing gelling agent crosslinked poly(meth)acrylate(salt), an alkaline electrolyte (e.g. a high-concentration aqueous solution of potassium hydroxide, contains zinc powder) so as to prepare a gelling agent for use in an alkaline battery having a gel-form negative electrode; impact resistance SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2007-10-04 US disclosed
EP-1798791-A1 THICKENER FOR ALKALINE BATTERY AND ALKALINE BATTERY Sanyo Chemical Industries, Ltd. (JP) 2007-06-20 EP disclosed
EP-1777764-A1 GELLING AGENT FOR ALKALINE BATTERY AND ALKALINE BATTERY SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-25 EP disclosed
US-20060146087-A1 Liquid, ph-sensitive ink, method and apparatus using the same CANON KABUSHIKI KAISHA (JP) 2006-07-06 US disclosed
US-20050227155-A1 Electrophoretic particles, electrophoretic dispersion liquid, and electrophoretic display device CANON KABUSHIKI KAISHA (JP) 2005-10-13 US disclosed
WO-2004106440-A1 LIQUID, PH-SENSITIVE INK, METHOD AND APPARATUS USING THE SAME CANON KABUSHIKI KAISHA (JP) 2004-12-09 WO disclosed
US-6667133-B1 Cross-linked polymer of (meth)acrylic acid and/or its alkali metal salt, water swelling particle SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2003-12-23 US disclosed
EP-0432946-B1 Charge control resin particles for an electrophotographic toner and a method of manufacturing the same MITA INDUSTRIAL CO LTD (JP) 1997-04-23 EP disclosed
EP-0432946-A1 Charge control resin particles and a method of manufacturing the same MITA INDUSTRIAL CO., LTD. (JP) 1991-06-19 EP disclosed