SCHEMBL4744736

SCHEMBL4744736

Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1cccc(CN2CCC2C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.58
PPARA Q07869 20/20 0.58
CYP3A4 P08684 4/20 0.53
CYP2C9 P11712 4/20 0.53
KCNH2 Q12809 3/20 0.53
CYP2C19 P33261 2/20 0.52

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
SCHEMBL4744734 1.00 PPARG (0.58) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL4787454 0.95 PPARG (0.57) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL4787443 0.95 PPARG (0.57) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL4748194 0.92 PPARG (0.55) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL4748197 0.92 PPARG (0.55) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL4880332 0.91 PPARA (0.56) PPARGPPARA
SCHEMBL4787963 0.91 PPARA (0.56) PPARGPPARA
SCHEMBL4744759 0.91 PPARG (0.54) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL4746732 0.91 PPARG (0.54) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL4747359 0.90 PPARG (0.57) PPARGPPARACYP3A4CYP2C9KCNH2

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-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO claimed
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed