SCHEMBL4747388

SCHEMBL4747388

COC(=O)[C@H]1CCN1Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
PPARG P37231 11/20 0.56
PPARA Q07869 8/20 0.56
MAPT P10636 4/20 0.51
KDR P35968 1/20 0.48

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
SCHEMBL4747390 1.00 FFAR1 (0.59) FFAR1PPARGPPARAMAPTKDR
SCHEMBL4744477 0.95 FFAR1 (0.57) FFAR1PPARGPPARAMAPTKDR
SCHEMBL4744427 0.95 FFAR1 (0.57) FFAR1PPARGPPARAMAPTKDR
SCHEMBL4744421 0.95 FFAR1 (0.57) FFAR1PPARGPPARAMAPTKDR
SCHEMBL4748586 0.94 FFAR1 (0.56) FFAR1PPARGPPARAMAPT
SCHEMBL4748583 0.94 FFAR1 (0.56) FFAR1PPARGPPARAMAPT
SCHEMBL4747946 0.93 FFAR1 (0.55) FFAR1PPARGPPARAMAPT
SCHEMBL4747918 0.93 FFAR1 (0.55) FFAR1PPARGPPARAMAPT
SCHEMBL4747915 0.93 FFAR1 (0.55) FFAR1PPARGPPARAMAPT
SCHEMBL4746707 0.93 PPARG (0.55) FFAR1PPARGPPARAMAPT

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