SCHEMBL4744868

SCHEMBL4744868

Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1ccc(COC(=O)C2CCCCN2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.51
PPARG P37231 16/20 0.51
PPARD Q03181 3/20 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
SCHEMBL4744013 0.95 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL4747246 0.94 PPARG (0.47) PPARAPPARGPPARD
SCHEMBL4745030 0.89 PPARG (0.59) PPARAPPARGPPARD
SCHEMBL4746620 0.86 PPARA (0.55) PPARAPPARG
SCHEMBL4744642 0.82 PPARG (0.55) PPARAPPARG
SCHEMBL4748098 0.82 PPARA (0.52) PPARAPPARG
SCHEMBL4744698 0.79 FFAR1 (0.63) PPARAPPARG
SCHEMBL4746231 0.78 ALDH1A1 (0.65) PPARAPPARGPPARD
SCHEMBL4748204 0.77 KDM4E (0.54) PPARAPPARGPPARD
SCHEMBL4748206 0.77 KDM4E (0.54) PPARAPPARGPPARD

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