SCHEMBL4744698

SCHEMBL4744698

Cc1oc(-c2ccccc2)nc1COc1ccc(COC(=O)C2CCN2)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.63
PPARG P37231 14/20 0.59
PPARA Q07869 12/20 0.59
KDR P35968 1/20 0.52
MAPT P10636 2/20 0.49

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
SCHEMBL4745030 0.89 PPARG (0.59) FFAR1PPARGPPARA
SCHEMBL4744629 0.86 KDR (0.62) FFAR1PPARGPPARAKDR
SCHEMBL4743931 0.86 KDR (0.61) FFAR1PPARGPPARAKDR
SCHEMBL4743666 0.85 KDR (0.60) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4747246 0.84 PPARG (0.47) FFAR1PPARGPPARAMAPT
SCHEMBL4744013 0.81 PPARA (0.54) PPARGPPARA
SCHEMBL4748548 0.80 PPARG (0.55) PPARGPPARAKDRMAPT
SCHEMBL4032164 0.79 FFAR1 (0.76) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4788657 0.79 FFAR1 (0.57) FFAR1PPARGPPARA
SCHEMBL5403576 0.79 FFAR1 (0.79) FFAR1PPARGPPARAKDRMAPT

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