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SCHEMBL14435336

SCHEMBL14435336

C=Cc1ccccc1-c1c(C2CCCCC2)c2ccc(C(=O)CO)cc2n1CC(=C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ NR1I2 O75469 1/20 0.31
▸ SCN9A Q15858 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL4823883 0.91 CNR2 (0.38) PRKCAMMP12CYP3A4CYP2C19CYP2D6
SCHEMBL4821680 0.83 CNR2 (0.40) PRKCAMMP12CYP3A4CYP2C19CYP2D6
SCHEMBL14263455 0.83 PRKCA (0.40) PRKCAMMP12CYP3A4CYP2C19CYP2D6
SCHEMBL4821691 0.80 CNR2 (0.41) PRKCAMMP12CYP3A4CYP2C19CYP2D6
SCHEMBL13939958 0.80 CNR2 (0.40) PRKCAMMP12CYP3A4CYP2C19CYP2D6
SCHEMBL4823276 0.79 CNR2 (0.41) PRKCAMMP12CYP3A4CYP2C19CYP2C9
SCHEMBL3362749 0.78 PRKCA (0.39) PRKCAMMP12CYP3A4CYP2C19CYP2D6
SCHEMBL3095427 0.77 PRKCA (0.38) PRKCAMMP12CYP3A4CYP2C19CYP2D6
SCHEMBL14263655 0.75 PRKCA (0.37) PRKCAMMP12CYP3A4CYP2C19CYP2D6
SCHEMBL3583062 0.75 PRKCA (0.41) PRKCAMMP12CYP3A4CYP2C19CYP2C9

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
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 — — WO disclosed