SCHEMBL4744152

SCHEMBL4744152

CC(C)c1oc(-c2ccccc2)nc1CCOc1ccc(C=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.55
PPARA Q07869 13/20 0.55
PPARD Q03181 3/20 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
SCHEMBL4744565 0.88 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL4746469 0.85 PPARG (0.73) PPARGPPARAPPARD
SCHEMBL4748511 0.84 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL6970285 0.80 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL6157782 0.78 FFAR1 (0.65) PPARGPPARA
SCHEMBL4744513 0.77 KDR (0.66) PPARGPPARA
SCHEMBL4032766 0.76 FFAR1 (0.52) PPARGPPARAPPARD
SCHEMBL7165258 0.76 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL7165255 0.76 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL9005906 0.75 PPARA (0.57) PPARGPPARAPPARD

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