SCHEMBL6073437

SCHEMBL6073437

CN(CCOc1cccc(CN(CC(=O)O)C(=O)Oc2cccc(C(F)(F)F)c2)c1)c1nc2ccccc2o1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.52
PPARA Q07869 9/20 0.51
CYP2C9 P11712 1/20 0.49
KCNH2 Q12809 1/20 0.49
PPARD Q03181 5/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL6073212 0.91 PPARA (0.57) PPARGPPARACYP2C9KCNH2PPARD
SCHEMBL6073250 0.89 PPARA (0.53) PPARGPPARACYP2C9KCNH2PPARD
SCHEMBL6073052 0.89 PPARG (0.55) PPARGPPARACYP2C9KCNH2PPARD
SCHEMBL6073153 0.89 PPARA (0.53) PPARGPPARACYP2C9KCNH2PPARD
SCHEMBL6073091 0.88 PPARG (0.56) PPARGPPARACYP2C9KCNH2PPARD
SCHEMBL6073122 0.88 PPARG (0.58) PPARGPPARACYP2C9KCNH2PPARD
SCHEMBL6073186 0.87 PPARG (0.58) PPARGPPARACYP2C9KCNH2
SCHEMBL6073491 0.85 PPARG (0.53) PPARGPPARA
SCHEMBL6073226 0.85 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL6073248 0.85 PPARA (0.56) PPARGPPARAPPARD

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-2006117743-A1 SUBSTITUTED AROMATIC COMPOUNDS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed