Styrene

Styrene

SCHEMBL7940876

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

nearest known ligand 0.38

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 16)

geneUniProtsupporting neighboursconfidence
PPARG known ✓ P37231 2/20 0.31
CA1 known ✓ P00915 1/20 0.31
HTT P42858 2/20 0.38
GAA P10253 3/20 0.36
POLB P06746 1/20 0.33
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADAM17 P78536 2/20 0.31
PPARA Q07869 1/20 0.31

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 SCHEMBL7854979 0.96 HTT (0.36) HTTGAAPOLBALDH1A1NPSR1
Styrene SCHEMBL7849011 0.85 GAA (0.38) HTTGAATDP1PPARG
Styrene SCHEMBL6233548 0.85 GAA (0.38) HTTGAAALDH1A1TDP1PPARG
SCHEMBL7940863 0.80 GAA (0.40) HTTGAATDP1PPARG
Styrene SCHEMBL11311639 0.78 ALDH1A1 (0.45) POLBALDH1A1NPSR1TSHRCYP1A2
Methacrylic Acid SCHEMBL27797874 0.76 GLA (0.43) HTTGAAALDH1A1TDP1PPARG
Acrylic Acid SCHEMBL27959662 0.76 HTT (0.43) HTTGAAPOLBALDH1A1TDP1
Styrene SCHEMBL210091 0.76 TSHR (0.54) HTTGAAALDH1A1TDP1PPARG
Styrene SCHEMBL7711611 0.75 ALDH1A1 (0.42) HTTGAAPOLBALDH1A1TDP1
Styrene SCHEMBL7715383 0.75 TSHR (0.45) HTTGAAALDH1A1TDP1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6190820-B1 Toner processes XEROX CORPORATION 2001-02-20 US disclosed