SCHEMBL4746249

SCHEMBL4746249

COC(=O)[C@@H]1COCCN1Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.55
PPARG P37231 12/20 0.55
PPARA Q07869 10/20 0.55
MAOB P27338 1/20 0.48
MAPT P10636 1/20 0.48
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
KDR P35968 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
SCHEMBL4748033 0.93 PPARG (0.54) FFAR1PPARGPPARAMAOBMAPT
SCHEMBL4744768 0.92 FFAR1 (0.58) FFAR1PPARGPPARAMAOBKDR
SCHEMBL4748448 0.92 FFAR1 (0.58) FFAR1PPARGPPARAMAOBKDR
SCHEMBL4746593 0.91 KDR (0.57) FFAR1PPARGPPARAMAPTKDR
SCHEMBL4747388 0.90 FFAR1 (0.59) FFAR1PPARGPPARAMAPTKDR
SCHEMBL4747390 0.90 FFAR1 (0.59) FFAR1PPARGPPARAMAPTKDR
SCHEMBL4746623 0.90 PPARG (0.49) FFAR1PPARGPPARAMAOBMAPT
SCHEMBL4744477 0.88 FFAR1 (0.57) FFAR1PPARGPPARAMAPTKDR
SCHEMBL4744421 0.88 FFAR1 (0.57) FFAR1PPARGPPARAMAPTKDR
SCHEMBL4744427 0.88 FFAR1 (0.57) FFAR1PPARGPPARAMAPTKDR

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