SCHEMBL6635511

SCHEMBL6635511

CCc1cc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2-c2ccccc2)ccc1OCC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.66
FFAR1 O14842 4/20 0.65
PPARA Q07869 6/20 0.53
PPARG P37231 5/20 0.53

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
SCHEMBL5516923 0.90 PPARD (0.80) PPARDFFAR1PPARAPPARG
SCHEMBL5514539 0.84 PPARD (0.65) PPARDFFAR1PPARAPPARG
SCHEMBL5510557 0.81 PPARD (0.82) PPARDFFAR1PPARAPPARG
SCHEMBL6236634 0.79 PPARD (1.00) PPARDFFAR1PPARAPPARG
SCHEMBL5518655 0.79 PPARD (0.79) PPARDFFAR1PPARAPPARG
SCHEMBL5519930 0.78 PPARD (0.83) PPARDFFAR1PPARAPPARG
SCHEMBL5516731 0.78 PPARD (0.64) PPARDFFAR1PPARAPPARG
SCHEMBL5526106 0.78 PPARD (0.81) PPARDPPARAPPARG
SCHEMBL5512102 0.77 PPARD (0.76) PPARDFFAR1PPARAPPARG
SCHEMBL6109467 0.77 PPARD (0.66) PPARDFFAR1PPARAPPARG

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-1480642-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2003072102-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 WO disclosed