SCHEMBL1502467

SCHEMBL1502467

O=S(=O)([O-])c1ccccc1/C=C\c1ccc(-c2ccc(/C=C\c3ccccc3S(=O)(=O)[O-])cc2)cc1.[Na+].[Na+]

nearest known ligand 0.42

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
RAD51 Q06609 7/20 0.42
KDM4E B2RXH2 2/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LTA P01374 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
P2RX3 P56373 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
KCNH2 Q12809 2/20 0.37
NFE2L2 Q16236 5/20 0.37
CISD1 Q9NZ45 1/20 0.36
CYP2D6 P10635 1/20 0.36
STS P08842 1/20 0.35
TRPA1 O75762 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL29384434 1.00 RAD51 (0.42) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL183119 1.00 RAD51 (0.42) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL15788912 1.00 RAD51 (0.42) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL15769461 1.00 RAD51 (0.42) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL4251671 0.95 RAD51 (0.43) RAD51KDM4EUSP2ALDH1A1LTA
Bicarbonate SCHEMBL7806500 0.94 RAD51 (0.42) RAD51HTR2AHTR2CKCNH2TRPA1
SCHEMBL27453977 0.89 RAD51 (0.48) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL3007469 0.87 RAD51 (0.43) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL3936737 0.87 RAD51 (0.50) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL31427086 0.87 RAD51 (0.50) RAD51KDM4EUSP2ALDH1A1LTA

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 503 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536668-B1 MATERIALS FOR IMPROVED ADHESION RELATING TO FUNCTIONAL COLD END COATINGS (CECs) AND METHODS OF DETECTING SAME FERRO CORP (US) 2021-07-28 EP claimed
EP-3194546-B1 WHITENING COMPOSITION UNILEVER PLC NO 41424 (GB) 2019-09-04 EP claimed
CN-106661504-B Lightening compositions 荷兰联合利华有限公司 2019-07-12 CN claimed
EP-3194546-A1 WHITENING COMPOSITION Unilever Plc, A Company Registered In England And Wales under company no. 41424 of Unilever House (GB) 2017-07-26 EP claimed
CN-106661504-A Whitening composition 荷兰联合利华有限公司 2017-05-10 CN claimed
WO-2016041679-A1 WHITENING COMPOSITION UNILEVER PLC (GB) 2016-03-24 WO claimed
US-9181656-B2 FWA formulation used for the papermaking process Li meng jun (CA) 2015-11-10 US claimed
US-20150123037-A1 Novel FWA formulation used for the papermaking process Li meng jun (CA) 2015-05-07 US claimed
US-20150119600-A1 Novel Optical Brightening Agent Used for the Papermaking Process Li meng jun (CA) 2015-04-30 US claimed
WO-2015001207-A1 FLUORESCENT LABELLING OF A POLYMER SUBSTRATE COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-01-08 WO claimed
US-20080214706-A1 Moulded Object Exhibiting a Polychromatic Effect, Associated Light Device and Resin ARKEMA FRANCE (FR) 2008-09-04 US claimed
EP-1848763-B1 MOULDED OBJECT EXHIBITING A POLYCHROMATIC EFFECT, ASSOCIATED LIGHT DEVICE AND RESIN ARKEMA FRANCE (FR) 2008-04-16 EP claimed
CN-101120046-A Molded article exhibiting multi-color effects, associated lighting device and resin ARKEMA FRANCE (FR) 2008-02-06 CN claimed
EP-1848763-A1 MOULDED OBJECT EXHIBITING A POLYCHROMATIC EFFECT, ASSOCIATED LIGHT DEVICE AND RESIN Arkema France (FR) 2007-10-31 EP claimed
EP-1708882-A1 METHOD OF TRACING PROCESS PRINTING FLUIDS Nalco Company (US) 2006-10-11 EP claimed
WO-2006087241-A1 MOULDED OBJECT EXHIBITING A POLYCHROMATIC EFFECT, ASSOCIATED LIGHT DEVICE AND RESIN ARKEMA FRANCE (FR) 2006-08-24 WO claimed
US-20060150850-A1 Method of tracing process printing fluids ECOLAB USA INC. 2006-07-13 US claimed
WO-2005072964-A1 METHOD OF TRACING PROCESS PRINTING FLUIDS NALCO COMPANY (US) 2005-08-11 WO claimed
US-20050166780-A1 Method of tracing process printing fluids NALCO COMPANY 2005-08-04 US claimed
US-6472219-B1 CONCENTRATION OF TREATMENT PRODUCTS APPLIED TO CUT FLOWER WATER, I.E. IN ORDER TO PREVENT LEAF YELLOWING, ETC. DETERMINED USING FLUOROESCENT INDICATOR ONDEO NALCO COMPANY 2002-10-29 US claimed