SCHEMBL2922035

SCHEMBL2922035

O=C(O)c1cccc(C(=O)O)c1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.55

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
CA1 known ✓ P00915 2/20 0.41
CA2 known ✓ P00918 2/20 0.41
CA12 known ✓ O43570 1/20 0.41
CA4 known ✓ P22748 1/20 0.41
ALOX15 P16050 2/20 0.55
ALDH1A1 P00352 7/20 0.48
TSHR P16473 2/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HMGB1 P09429 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA9 Q16790 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MMP2 P08253 2/20 0.41

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
Lithium Ion SCHEMBL3466129 0.96 ALOX15 (0.55) ALOX15ALDH1A1TSHRNR4A1NR4A2
Potassium Ion SCHEMBL28707221 0.96 ALOX15 (0.55) ALOX15ALDH1A1TSHRNR4A1NR4A2
Terephthalic Acid SCHEMBL7867065 0.89 CA2 (0.48) ALOX15ALDH1A1CA1CA2CA4
SCHEMBL9004848 0.88 ALOX15 (0.53) ALOX15ALDH1A1TSHRNR4A1NR4A2
SCHEMBL1410085 0.83 KDM4E (0.48) ALOX15ALDH1A1CA1CA2KDM4E
SCHEMBL7116731 0.81 ALOX15 (0.50) ALOX15ALDH1A1TSHRCA1CA2
Potassium Ion SCHEMBL30205305 0.78 ALDH1A1 (0.43) ALOX15ALDH1A1NR4A1CA2KDM4E
Lithium Ion SCHEMBL8676700 0.78 ALDH1A1 (0.43) ALOX15ALDH1A1CA2KDM4EHPGD
SCHEMBL65889 0.77 ALOX15 (0.59) ALOX15ALDH1A1TSHRNR4A1NR4A2
Benzene SCHEMBL10638262 0.77 ALOX15 (0.59) ALOX15ALDH1A1TSHRNR4A1NR4A2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118679203-A Polyamide-imide resin, polyamide-imide fiber, nonwoven fabric, and separator for electronic component 东洋纺艾睦希株式会社 2024-09-20 CN disclosed
CN-114729477-B Fabric for swimwear and swimwear using same 东丽株式会社 2023-08-22 CN disclosed
US-11319418-B2 Sealable and peelable polyester film CRYOVAC, LLC (US) 2022-05-03 US disclosed
CN-107107575-B Sealing film for electronic component 三菱化学株式会社 2020-07-28 CN disclosed
US-20170321024-A1 Sealable and Peelable Polyester Film CRYOVAC, LLC 2017-11-09 US disclosed
EP-3074431-A1 LOW VISCOSITY, WATER-BORNE, ACRYLIC MODIFIED ALKYD DISPERSION AND METHOD OF PRODUCTION THEREOF Arkema, Inc. (US) 2016-10-05 EP disclosed
EP-2231746-B1 METAL COATING COMPOSITION SHERWIN WILLIAMS CO (US) 2016-08-31 EP disclosed
WO-2015077677-A1 LOW VISCOSITY, WATER-BORNE, ACRYLIC MODIFIED ALKYD DISPERSION AND METHOD OF PRODUCTION THEREOF ARKEMA INC. (US) 2015-05-28 WO disclosed
US-8084137-B2 Metal coating composition THE SHERWIN-WILLIAMS COMPANY (US) 2011-12-27 US disclosed
EP-2231746-A1 METAL COATING COMPOSITION The Sherwin-Williams Company (US) 2010-09-29 EP disclosed
EP-2231741-A1 METAL COATING COMPOSITION The Sherwin-Williams Company (US) 2010-09-29 EP disclosed
US-20090182084-A1 METAL COATING COMPOSITION THE SHERWIN-WILLIAMS COMPANY (US) 2009-07-16 US disclosed
US-20090182083-A1 METAL COATING COMPOSITION THE SHERWIN-WILLIAMS COMPANY (US) 2009-07-16 US disclosed
WO-2009089064-A1 METAL COATING COMPOSITION THE SHERWIN-WILLIAMS COMPANY (US) 2009-07-16 WO disclosed
WO-2009089075-A1 METAL COATING COMPOSITION THE SHERWIN-WILLIAMS COMPANY (US) 2009-07-16 WO disclosed
US-6589324-B2 Surface treatment solution consists of a mixture of aluminum salt and an inorganic oxide particle, an aluminum containing inorganic particle comprising aluminum, oxygen and one other element; other metal salt; phosphorus compound and a resin TOYO BOSEKI KABUSHIKI KAISHA (JP) 2003-07-08 US disclosed
EP-0952193-B1 Agent for treating metallic surface, surface-treated metal material and coated metal material TOYO BOSEKI (JP) 2003-03-05 EP disclosed
US-20020098345-A1 AGENT FOR TREATING METALLIC SURFACE, SURFACE-TREATED METAL MATERIAL AND COATED METAL MATERIAL TOYO BOSEKI KABUSHIKI KAISHA (JP) 2002-07-25 US disclosed
EP-0952193-A1 Agent for treating metallic surface, surface-treated metal material and coated metal material Toyo Boseki Kabushiki Kaisha (JP) 1999-10-27 EP disclosed