Styrene

Styrene

SCHEMBL29139874

C=C(C)C(=O)[O-].C=Cc1ccccc1.O=C1C=CC(=O)O1.[Na+]

nearest known ligand 0.41

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 1/20 0.31
CA4 known ✓ P22748 1/20 0.31
PTGS2 known ✓ P35354 1/20 0.31
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.34
AKR1C3 P42330 1/20 0.34
GLA P06280 1/20 0.34
PSMD14 O00487 1/20 0.33
CYP3A4 P08684 1/20 0.32
FBP1 P09467 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CMA1 P23946 1/20 0.31
RECQL P46063 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP2C19 P33261 1/20 0.30

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 SCHEMBL1277210 0.89 ALDH1A1 (0.45) ALDH1A1TSHRTDP1AKR1C3GLA
Styrene SCHEMBL9467017 0.88 ALDH1A1 (0.50) ALDH1A1TSHRTDP1AKR1C3GLA
Styrene SCHEMBL20573914 0.88 ALDH1A1 (0.50) ALDH1A1TSHRTDP1AKR1C3GLA
Styrene SCHEMBL1728767 0.87 ALDH1A1 (0.54) ALDH1A1TSHRTDP1AKR1C3GLA
Styrene SCHEMBL7950784 0.86 ALDH1A1 (0.52) ALDH1A1TSHRTDP1AKR1C3GLA
Styrene SCHEMBL3708272 0.84 ALDH1A1 (0.47) ALDH1A1TSHRTDP1AKR1C3GLA
Styrene SCHEMBL27873760 0.84 ALDH1A1 (0.47) ALDH1A1TSHRTDP1AKR1C3GLA
Styrene SCHEMBL2711946 0.84 ALDH1A1 (0.54) ALDH1A1TSHRTDP1AKR1C3GLA
Styrene SCHEMBL3361846 0.84 ALDH1A1 (0.54) ALDH1A1TSHRTDP1AKR1C3GLA
Styrene SCHEMBL2774651 0.83 ALDH1A1 (0.42) ALDH1A1TSHRAKR1C3CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117180145-A Anti-drop pet washing and caring composition and preparation method thereof 广州小蜜蜂生物科技股份有限公司 2023-12-08 CN claimed
CN-117180145-A Anti-drop pet washing and caring composition and preparation method thereof 广州小蜜蜂生物科技股份有限公司 2023-12-08 CN disclosed
CN-117180145-A Anti-drop pet washing and caring composition and preparation method thereof 广州小蜜蜂生物科技股份有限公司 2023-12-08 CN disclosed