Styrene

Styrene

SCHEMBL4375720

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

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

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 5/20 0.58
TSHR P16473 2/20 0.58
MCL1 Q07820 2/20 0.43
PLIN1 O60240 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
PLIN5 Q00G26 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ABHD5 Q8WTS1 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
AKT1 P31749 1/20 0.39
TNKS O95271 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 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 SCHEMBL157052 0.96 ALDH1A1 (0.54) ALDH1A1TSHRMCL1PLIN1LMNA
Styrene SCHEMBL27190847 0.94 ALDH1A1 (0.52) ALDH1A1TSHRMCL1PLIN1LMNA
Styrene SCHEMBL123961 0.92 ALDH1A1 (0.54) ALDH1A1TSHRMCL1PLIN1LMNA
Styrene SCHEMBL1980399 0.92 ALDH1A1 (0.54) ALDH1A1TSHRMCL1PLIN1LMNA
Styrene SCHEMBL3789273 0.92 ALDH1A1 (0.54) ALDH1A1TSHRMCL1PLIN1LMNA
Styrene SCHEMBL27670716 0.92 ALDH1A1 (0.54) ALDH1A1TSHRMCL1PLIN1LMNA
Styrene SCHEMBL21697 0.91 ALDH1A1 (0.70) ALDH1A1TSHRMCL1LMNAHDAC8
Styrene SCHEMBL10592601 0.91 ALDH1A1 (0.70) ALDH1A1TSHRMCL1LMNAHDAC8
Styrene SCHEMBL5930728 0.91 ALDH1A1 (0.70) ALDH1A1TSHRMCL1LMNAHDAC8
Styrene SCHEMBL3693751 0.91 ALDH1A1 (0.70) ALDH1A1TSHRMCL1LMNAHDAC8

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
WO-2009100986-A1 BIOCIDAL COMPOSITIONS FOR PLASTICS BASF SE (DE) 2009-08-20 WO disclosed
US-5477652-A Composite security wall systems GENERAL ELECTRIC COMPANY (US) 1995-12-26 US disclosed