SCHEMBL6182465

SCHEMBL6182465

COc1ccc(CSc2ccc(OCC(=O)O)c3c2CCC3)cc1OCc1ccc(C(F)(F)F)cc1.O=C(O)COc1ccc(SCc2cccc(OCc3ccc(C(F)(F)F)cc3)c2)c2c1CCC2

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.72
PPARA Q07869 15/20 0.72
PPARG P37231 9/20 0.63

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
SCHEMBL5514485 0.94 PPARD (0.82) PPARDPPARAPPARG
SCHEMBL5513436 0.94 PPARD (0.76) PPARDPPARAPPARG
SCHEMBL5519944 0.89 PPARD (0.68) PPARDPPARAPPARG
SCHEMBL5517567 0.87 PPARD (0.65) PPARDPPARAPPARG
SCHEMBL5513213 0.84 PPARD (1.00) PPARDPPARAPPARG
SCHEMBL5510088 0.83 PPARD (0.83) PPARDPPARAPPARG
SCHEMBL5513448 0.83 PPARD (0.64) PPARDPPARAPPARG
SCHEMBL5509985 0.81 PPARD (0.68) PPARDPPARAPPARG
SCHEMBL5506830 0.81 PPARD (1.00) PPARDPPARAPPARG
SCHEMBL5515984 0.79 PPARD (0.70) PPARDPPARAPPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494989-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2005-01-12 EP disclosed
WO-2003084916-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2003-10-16 WO disclosed