SCHEMBL4660128

SCHEMBL4660128

CCC(C#N)(C(=O)O)C(c1ccc(-c2ccccc2)cc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
PTGS2 P35354 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
SCHEMBL4660186 0.91 PPARG (0.37) ACP3PPARGPPARACYP2C9CYP2C19
SCHEMBL4661436 0.89 MEN1 (0.36) PPARGPPARACYP2C9CYP2C19CTSS
SCHEMBL4662672 0.88 MAPT (0.43) PPARGPPARACTSSCTSKHPGD
SCHEMBL4661534 0.87 CMA1 (0.39) ACP3PPARGPPARACYP2C9CYP2C19
SCHEMBL4661407 0.86 PPARG (0.46) ACP3PPARGPPARACYP2C9CYP2C19
SCHEMBL4662654 0.83 PPARG (0.38) ACP3PPARGPPARACYP2C9CYP2C19
SCHEMBL4661396 0.83 PPARG (0.38) ACP3PPARGPPARACYP2C9CYP2C19
SCHEMBL4661453 0.81 MEN1 (0.45) PPARGPPARACYP2C9CYP2C19SMN1; SMN2
SCHEMBL4661587 0.81 ESR1 (0.45) PPARGPPARACTSSCTSKHPGD
SCHEMBL4660153 0.81 PPARG (0.36) ACP3PPARGPPARACYP2C9CYP2C19

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-1620102-B1 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH CORP (US) 2008-12-24 EP claimed