SCHEMBL4661534

SCHEMBL4661534

CCC(C#N)(C(=O)O)C(c1ccc2ccccc2c1)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 3/20 0.39
CTSG P08311 1/20 0.39
ACP3 P15309 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
AKR1B1 P15121 1/20 0.38
MGAM O43451 3/20 0.36
GAA P10253 3/20 0.36
SI P14410 3/20 0.36
MGAM2 Q2M2H8 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 2/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
UGT2B7 P16662 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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 0.87 PPARG (0.37) ACP3PPARGPPARAMGAMGAA
SCHEMBL4660128 0.87 ACP3 (0.42) ACP3PPARGPPARAALDH1A1CYP2C9
SCHEMBL4661453 0.87 MEN1 (0.45) PPARGPPARACYP2C9CYP2C19MTNR1A
SCHEMBL4661436 0.85 MEN1 (0.36) PPARGPPARAALDH1A1CYP2C9HPGD
SCHEMBL4661396 0.85 PPARG (0.38) ACP3PPARGPPARAGAAALDH1A1
SCHEMBL4662672 0.84 MAPT (0.43) PPARGPPARAGAAALDH1A1HPGD
SCHEMBL4662654 0.82 PPARG (0.38) ACP3PPARGPPARAALDH1A1CYP2C9
SCHEMBL4661407 0.81 PPARG (0.46) ACP3PPARGPPARACYP2C9HPGD
SCHEMBL4661587 0.81 ESR1 (0.45) PPARGPPARAGAAALDH1A1HPGD
SCHEMBL4662804 0.80 ALDH1A1 (0.45) PPARGPPARAALDH1A1HPGDMTNR1A

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