Styrene

Styrene

SCHEMBL8735136

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

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Styrene. 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
CA2 known ✓ P00918 11/20 0.42
CA1 known ✓ P00915 9/20 0.42
CA12 known ✓ O43570 5/20 0.42
PTGS2 known ✓ P35354 2/20 0.42
CA4 known ✓ P22748 1/20 0.39
PTGS1 known ✓ P23219 1/20 0.38
ALDH1A1 P00352 3/20 0.61
TSHR P16473 1/20 0.61
TDP1 Q9NUW8 1/20 0.47
CA9 Q16790 7/20 0.42
CA5A P35218 2/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
PLA2G7 Q13093 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39

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
Styrene SCHEMBL165374 0.91 ALDH1A1 (0.67) ALDH1A1TSHRTDP1CA2CA1
Styrene SCHEMBL5959955 0.91 ALDH1A1 (0.67) ALDH1A1TSHRTDP1CA2CA1
Styrene SCHEMBL4818039 0.89 ALDH1A1 (0.70) ALDH1A1TSHRTDP1CA2CA1
Styrene SCHEMBL29152718 0.87 ALDH1A1 (0.61) ALDH1A1TSHRTDP1CA2CA9
Styrene SCHEMBL4274364 0.86 ALDH1A1 (0.67) ALDH1A1TSHRTDP1CA2CA1
Styrene SCHEMBL15313172 0.86 ALDH1A1 (0.67) ALDH1A1TSHRTDP1CA2CA1
Styrene SCHEMBL28165008 0.86 ALDH1A1 (0.67) ALDH1A1TSHRTDP1CA2CA1
Styrene SCHEMBL9453760 0.84 ALDH1A1 (0.64) ALDH1A1TSHRTDP1CA2CA1
Styrene SCHEMBL1672302 0.84 ALDH1A1 (0.64) ALDH1A1TSHRTDP1CA2CA1
Styrene SCHEMBL29220702 0.84 ALDH1A1 (0.64) ALDH1A1TSHRTDP1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603208-B1 PATTERNED PRESSURE SENSITIVE ADHESIVE TRANSFER TAPE MINNESOTA MINING & MFG (US) 1998-09-23 EP disclosed
US-5449540-A Patterned pressure sensitive adhesive transfer tape MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-09-12 US disclosed
US-5344681-A Patterned pressure sensitive adhesive transfer tape MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-09-06 US disclosed
EP-0603208-A1 PATTERNED PRESSURE SENSITIVE ADHESIVE TRANSFER TAPE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-06-29 EP disclosed
WO-1993005123-A1 PATTERNED PRESSURE SENSITIVE ADHESIVE TRANSFER TAPE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-03-18 WO disclosed