SCHEMBL313901

SCHEMBL313901

C=Cc1ccc(S(=O)(=O)[O-])c2ccccc12.[Na+]

nearest known ligand 0.44

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
THRB known ✓ P10828 2/20 0.44
NR4A1 P22736 1/20 0.37
RAD51 Q06609 7/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
APP P05067 1/20 0.35
GLB1 P16278 1/20 0.35
CHAT P28329 1/20 0.35
ENPP2 Q13822 1/20 0.35
PHLPP2 Q6ZVD8 1/20 0.35
CTRC Q99895 1/20 0.35
LDHA P00338 1/20 0.34
SLC7A11 Q9UPY5 2/20 0.34

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
SCHEMBL8615019 0.83 LDHA (0.37) ALDH1A1TSHRLDHATDP1
SCHEMBL313414 0.80 TTR (0.46) THRBALDH1A1HSD17B10ALOX15TSHR
SCHEMBL9810944 0.80 ALDH1A1 (0.39) ALDH1A1HSD17B10LDHATDP1
SCHEMBL30192595 0.80 TTR (0.46) THRBALDH1A1HSD17B10ALOX15TSHR
SCHEMBL7159106 0.79 ALDH1A1 (0.39) THRBRAD51ALDH1A1CYP3A4HPGD
SCHEMBL313902 0.79 TTR (0.44) THRBALDH1A1HSD17B10ALOX15CTRC
SCHEMBL139337 0.77 ALDH1A1 (0.40) THRBRAD51ALDH1A1CYP3A4HPGD
SCHEMBL29369229 0.77 ALDH1A1 (0.40) THRBRAD51ALDH1A1CYP3A4HPGD
SCHEMBL313915 0.76 ALDH1A1 (0.33) ALDH1A1MAPK1LDHA
Water SCHEMBL8393463 0.76 ALDH1A1 (0.39) THRBRAD51ALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3572202-B1 MOLDED ARTICLE AND METHOD FOR PRODUCING SAME SUMITOMO CHEMICAL CO (JP) 2021-08-11 EP disclosed
US-10941254-B2 Molded article and method of producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-03-09 US disclosed
CN-110167734-B Molded article and method for producing same 住友化学株式会社 2021-01-08 CN disclosed
US-10647784-B2 Resin and surface protective plate or automotive material SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-12 US disclosed
EP-3327052-B1 RESIN AND SURFACE PROTECTION PLATE OR AUTOMOTIVE MATERIAL SUMITOMO CHEMICAL CO (JP) 2020-03-04 EP disclosed
CN-107849199-B Resin, surface protective plate, or automobile material 住友化学株式会社 2019-12-27 CN disclosed
US-20190322815-A1 MOLDED ARTICLE AND METHOD OF PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-10-24 US disclosed
CN-110167734-A MOLDED ARTICLE AND METHOD FOR PRODUCING SAME 住友化学株式会社 2019-08-23 CN disclosed
US-20180215837-A1 RESIN AND SURFACE PROTECTIVE PLATE OR AUTOMOTIVE MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-08-02 US disclosed
EP-3327052-A1 RESIN AND SURFACE PROTECTION PLATE OR AUTOMOTIVE MATERIAL Sumitomo Chemical Company, Ltd. (JP) 2018-05-30 EP disclosed
US-8093342-B2 Polymer, charge control agent, and toner for developing electrostatic latent images CANON KABUSHIKI KAISHA (JP) 2012-01-10 US disclosed
US-20100291482-A1 NOVEL POLYMER, CHARGE CONTROL AGENT, AND TONER FOR DEVELOPING ELECTROSTATIC LATENT IMAGES CANON KABUSHIKI KAISHA (JP) 2010-11-18 US disclosed
CN-100427544-C Non-halogen flame-retardant base material and carpet for vehicle or airplane E TEC CO LTD (JP) 2008-10-22 CN disclosed
US-20070117945-A1 NOVEL POLYMER, CHARGE CONTROL AGENT, AND TONER FOR DEVELOPING ELECTROSTATIC LATENT IMAGES CANON KABUSHIKI KAISHA (JP) 2007-05-24 US disclosed
CN-1637063-A Non-halogen flame-retardant base material and carpet for vehicle or airplane E TEC CO LTD (JP) 2005-07-13 CN disclosed