Styrene

Styrene

SCHEMBL7850481

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

nearest known ligand 0.37

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
PPARG known ✓ P37231 1/20 0.33
TUBB4A known ✓ P04350 2/20 0.32
TUBB known ✓ P07437 2/20 0.32
TUBA3C known ✓ P0DPH7 2/20 0.32
TUBA1B known ✓ P68363 2/20 0.32
TUBA4A known ✓ P68366 2/20 0.32
TUBB4B known ✓ P68371 2/20 0.32
TUBB3 known ✓ Q13509 2/20 0.32
TUBB2A known ✓ Q13885 2/20 0.32
TUBB8 known ✓ Q3ZCM7 2/20 0.32
TUBA3E known ✓ Q6PEY2 2/20 0.32
TUBA1A known ✓ Q71U36 2/20 0.32
TUBA1C known ✓ Q9BQE3 2/20 0.32
TUBB6 known ✓ Q9BUF5 2/20 0.32
TUBB2B known ✓ Q9BVA1 2/20 0.32
TUBB1 known ✓ Q9H4B7 2/20 0.32
GAA P10253 2/20 0.37
HDAC3 O15379 1/20 0.37
FKBP1A P62942 1/20 0.35
CES2 O00748 1/20 0.35

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 SCHEMBL7850429 0.97 GAA (0.39) GAAHDAC3FKBP1ACES2CES1
SCHEMBL7940864 0.93 GAA (0.41) GAAHDAC3FKBP1ACES2CES1
Styrene SCHEMBL987788 0.86 LMNA (0.44) HDAC3CES2CES1LMNAEGFR
SCHEMBL10604712 0.83 GAA (0.43) GAAHDAC3FKBP1ACES2CES1
Styrene SCHEMBL7849011 0.83 GAA (0.38) GAAHDAC3FKBP1ACES2CES1
Styrene SCHEMBL7948135 0.83 TDP1 (0.50) GAAHDAC3CES2CES1LMNA
Styrene SCHEMBL8862982 0.82 LMNA (0.41) HDAC3CES2CES1LMNAEGFR
Styrene SCHEMBL8471452 0.82 LMNA (0.41) GAAHDAC3CES2CES1LMNA
Styrene SCHEMBL8862498 0.82 LMNA (0.41) HDAC3CES2CES1LMNAEGFR
Styrene SCHEMBL258132 0.82 LMNA (0.47) HDAC3CES2CES1LMNAEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268103-B1 Toner processes XEROX CORPORATION 2001-07-31 US disclosed
US-6190820-B1 Toner processes XEROX CORPORATION 2001-02-20 US disclosed