SCHEMBL4748552

SCHEMBL4748552

COC(=O)[C@@H]1COCCN1Cc1ccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.49
PPARA Q07869 15/20 0.49
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL4746623 0.93 PPARG (0.49) PPARGPPARACYP2C9
SCHEMBL4744313 0.92 PPARG (0.53) PPARGPPARACYP2C9CYP2C19
SCHEMBL4747661 0.92 PPARG (0.53) PPARGPPARACYP2C9CYP2C19
SCHEMBL4744694 0.91 PPARG (0.55) PPARGPPARA
SCHEMBL4748473 0.91 PPARG (0.51) PPARGPPARACYP2C9CYP2C19
SCHEMBL4744673 0.91 PPARG (0.54) PPARGPPARA
SCHEMBL4744671 0.91 PPARG (0.54) PPARGPPARA
SCHEMBL4788199 0.89 PPARG (0.52) PPARGPPARA
SCHEMBL4788193 0.89 PPARG (0.52) PPARGPPARA
SCHEMBL4748206 0.89 KDM4E (0.54) PPARGPPARA

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