SCHEMBL4744716

SCHEMBL4744716

Cc1ccccc1-c1nc(CCOc2cccc(CN3CCC3C(=O)O)c2)c(C)o1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.58
PPARA Q07869 18/20 0.58
ALDH1A1 P00352 1/20 0.53
CD274 Q9NZQ7 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
SCHEMBL4787429 0.95 CD274 (0.57) PPARGPPARAALDH1A1CD274
SCHEMBL4747748 0.95 CD274 (0.57) PPARGPPARAALDH1A1CD274
SCHEMBL4744276 0.88 CD274 (0.59) PPARGPPARAALDH1A1CD274
SCHEMBL4880332 0.88 PPARA (0.56) PPARGPPARA
SCHEMBL4787963 0.88 PPARA (0.56) PPARGPPARA
SCHEMBL4746655 0.86 CD274 (0.55) PPARGPPARAALDH1A1CD274
SCHEMBL4747524 0.86 PPARG (0.60) PPARGPPARACD274
SCHEMBL4746302 0.85 PPARG (0.58) PPARGPPARA
SCHEMBL4746305 0.85 PPARG (0.58) PPARGPPARA
SCHEMBL4744734 0.85 PPARG (0.58) PPARGPPARA

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