SCHEMBL5072156

SCHEMBL5072156

CCOC(Cc1ccc(OCc2coc(-c3cccc(OC)c3)n2)cc1CC)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.45
PPARG P37231 11/20 0.45
FFAR1 O14842 3/20 0.44
VDR P11473 1/20 0.43
PPARD Q03181 1/20 0.41

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
SCHEMBL5072161 1.00 PPARA (0.45) PPARAPPARGFFAR1VDRPPARD
SCHEMBL5017295 0.92 PPARA (0.46) PPARAPPARGFFAR1VDRPPARD
SCHEMBL5017299 0.92 PPARA (0.46) PPARAPPARGFFAR1VDRPPARD
SCHEMBL5024486 0.86 PPARA (0.44) PPARAPPARGFFAR1VDRPPARD
SCHEMBL5018056 0.83 PPARG (0.52) PPARAPPARGFFAR1PPARD
SCHEMBL5018058 0.83 PPARG (0.52) PPARAPPARGFFAR1PPARD
SCHEMBL5024784 0.78 PPARA (0.48) PPARAPPARGFFAR1PPARD
SCHEMBL5024780 0.78 PPARA (0.48) PPARAPPARGFFAR1PPARD
SCHEMBL5024601 0.75 PPARA (0.44) PPARAPPARGFFAR1PPARD
SCHEMBL5016013 0.75 PPARA (0.44) PPARAPPARGFFAR1PPARD

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
EP-1551814-B1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-23 EP claimed