SCHEMBL1973455

SCHEMBL1973455

C=C(C)c1ccccc1.O=S(=O)([O-])C=Cc1ccccc1.[Na+]

nearest known ligand 0.50

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
PPARG known ✓ P37231 6/20 0.41
PTGS1 known ✓ P23219 2/20 0.40
PTGS2 known ✓ P35354 2/20 0.40
HTT P42858 1/20 0.40
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
NFE2L2 Q16236 2/20 0.39
MAPT P10636 2/20 0.39
CYP1B1 Q16678 2/20 0.39
PLIN1 O60240 1/20 0.39
BCHE P06276 1/20 0.39
TNFRSF1A P19438 1/20 0.39
ACHE P22303 1/20 0.39
MAOB P27338 1/20 0.39
RECQL P46063 1/20 0.39
PLIN5 Q00G26 1/20 0.39
ABHD5 Q8WTS1 1/20 0.39
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL7095329 0.87 PPARG (0.43) PPARGHTTPTGS1PTGS2GLA
Methacrylic Acid SCHEMBL38651194 0.86 TDP1 (0.44) PPARGHTTGLATDP1KMT2A
Methacrylic Acid SCHEMBL7732677 0.84 GLA (0.43) PPARGHTTPTGS1PTGS2GLA
Butadiene SCHEMBL9342741 0.83 HTT (0.39) PPARGHTTGLATDP1KMT2A
Methacrylic Acid SCHEMBL7729849 0.83 HTT (0.42) PPARGHTTPTGS1PTGS2GLA
SCHEMBL2064222 0.83 PPARG (0.52) PPARGHTTKMT2ALMNANFE2L2
SCHEMBL4339905 0.83 PPARG (0.52) PPARGHTTKMT2ALMNANFE2L2
SCHEMBL98228 0.83 PPARG (0.52) PPARGHTTKMT2ALMNANFE2L2
Styrene SCHEMBL7949015 0.82 ALDH1A1 (0.41) PPARGHTTGLATDP1KMT2A
SCHEMBL28223837 0.82 PPARG (0.44) PPARGHTTKMT2ALMNANFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144264-A1 PROCESS FOR PREPARING STABILIZED LATICES BY EMULSION POLYMERIZATION COATEX 2011-06-16 US claimed
EP-3851468-A1 AQUEOUS POLYURETHANE RESIN COMPOSITION AND COATING MATERIAL USING THE COMPOSITION Covestro Intellectual Property GmbH & Co. KG (DE) 2021-07-21 EP disclosed
EP-2832754-B1 VINYL RESIN AND RESIN COMPOSITION SANYO CHEMICAL IND LTD (JP) 2020-10-28 EP disclosed
US-20150119497-A1 VINYL RESIN AND RESIN COMPOSITION SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2015-04-30 US disclosed
EP-2832754-A1 VINYL RESIN AND RESIN COMPOSITION Sanyo Chemical Industries, Ltd. (JP) 2015-02-04 EP disclosed
CN-104203999-A Vinyl resin and resin composition SANYO CHEMICAL INDUSTRY LTD 2014-12-10 CN disclosed