SCHEMBL4748511

SCHEMBL4748511

CC(C)c1oc(-c2ccccc2)nc1CCOc1ccc(CO)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.54
PPARA Q07869 12/20 0.54
PPARD Q03181 3/20 0.53
FFAR1 O14842 1/20 0.50

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
SCHEMBL4744513 0.88 KDR (0.66) PPARGPPARA
SCHEMBL3279259 0.84 PPARG (0.72) PPARGPPARAPPARD
SCHEMBL4744152 0.84 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL7737618 0.80 RAB9A (0.48) PPARGPPARAPPARDFFAR1
SCHEMBL3281065 0.78 KDR (0.76) PPARGPPARAPPARDFFAR1
SCHEMBL4035427 0.78 FFAR1 (0.56) PPARGPPARAPPARDFFAR1
SCHEMBL4744752 0.77 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL4744750 0.77 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL4744565 0.77 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL7740105 0.77 PPARA (0.47) 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