Styrene

Styrene

SCHEMBL4658487

C=C.C=Cc1ccccc1.CC(=O)O.CC(=O)O.CC(=O)O.N.N

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
ALDH1A1 P00352 4/20 0.64
TSHR P16473 2/20 0.64
TDP1 Q9NUW8 3/20 0.48
AKR1C3 P42330 1/20 0.48
GLA P06280 1/20 0.48
RECQL P46063 2/20 0.41
AKT1 P31749 1/20 0.41
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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 SCHEMBL27547420 0.98 ALDH1A1 (0.67) ALDH1A1TSHRTDP1AKR1C3GLA
Styrene SCHEMBL385100 0.95 ALDH1A1 (0.70) ALDH1A1TSHRTDP1AKR1C3GLA
Styrene SCHEMBL27318228 0.93 ALDH1A1 (0.67) ALDH1A1TSHRTDP1AKR1C3GLA
Styrene SCHEMBL28284709 0.91 ALDH1A1 (0.64) ALDH1A1TSHRTDP1AKR1C3GLA
Styrene SCHEMBL8348522 0.91 ALDH1A1 (0.64) ALDH1A1TSHRTDP1AKR1C3GLA
Styrene SCHEMBL5858997 0.91 ALDH1A1 (0.70) ALDH1A1TSHRTDP1AKR1C3GLA
Styrene SCHEMBL10614939 0.91 ALDH1A1 (0.70) ALDH1A1TSHRTDP1AKR1C3GLA
Styrene SCHEMBL19281746 0.89 ALDH1A1 (0.61) ALDH1A1TSHRTDP1AKR1C3GLA
Styrene SCHEMBL6697336 0.88 ALDH1A1 (0.67) ALDH1A1TSHRTDP1AKR1C3GLA
Styrene SCHEMBL27529933 0.88 ALDH1A1 (0.67) ALDH1A1TSHRTDP1AKR1C3GLA

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
EP-1349639-B1 METHOD OF SEPARATING ISOTOPES AREVA NP (FR) 2008-12-03 EP claimed