SCHEMBL4744671

SCHEMBL4744671

COC(=O)[C@H]1CCN1Cc1ccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.54
PPARA Q07869 14/20 0.54
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL4744673 1.00 PPARG (0.54) PPARGPPARAKDM4EALDH1A1
SCHEMBL4788193 0.95 PPARG (0.52) PPARGPPARAKDM4EALDH1A1
SCHEMBL4788199 0.95 PPARG (0.52) PPARGPPARAKDM4EALDH1A1
SCHEMBL4748206 0.94 KDM4E (0.54) PPARGPPARAKDM4EALDH1A1
SCHEMBL4748204 0.94 KDM4E (0.54) PPARGPPARAKDM4EALDH1A1
SCHEMBL4747044 0.93 PPARG (0.50) PPARGPPARAKDM4EALDH1A1
SCHEMBL4747043 0.93 PPARG (0.50) PPARGPPARAKDM4EALDH1A1
SCHEMBL4747359 0.92 PPARG (0.57) PPARGPPARA
SCHEMBL4744011 0.92 PPARG (0.57) PPARGPPARA
SCHEMBL4746609 0.91 PPARG (0.56) 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