SCHEMBL4787752

SCHEMBL4787752

COC(=O)[C@@H]1CCCN1Cc1cccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.54
PPARA Q07869 18/20 0.54
CYP3A4 P08684 4/20 0.48
CYP2C9 P11712 4/20 0.48
KCNH2 Q12809 3/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL4787762 1.00 PPARG (0.54) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL4747617 0.98 PPARG (0.53) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL4747618 0.98 PPARG (0.53) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL4748194 0.95 PPARG (0.55) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL4748197 0.95 PPARG (0.55) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL4748208 0.93 PPARG (0.53) PPARGPPARACYP2C9KCNH2ALDH1A1
SCHEMBL4743930 0.93 PPARG (0.53) PPARGPPARACYP2C9KCNH2ALDH1A1
SCHEMBL4743922 0.93 PPARG (0.53) PPARGPPARACYP2C9KCNH2ALDH1A1
SCHEMBL4787443 0.93 PPARG (0.57) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL4787454 0.93 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 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