SCHEMBL6613596

SCHEMBL6613596

Cc1cc(OCC(c2ccccc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1CCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.69
PPARA Q07869 6/20 0.69
PPARG P37231 4/20 0.69
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47

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
SCHEMBL5219007 0.89 PPARD (0.72) PPARDPPARAPPARGFFAR1
SCHEMBL5217826 0.85 PPARD (0.66) PPARDPPARAPPARG
SCHEMBL5215930 0.85 PPARD (0.70) PPARDPPARAPPARGFFAR1
SCHEMBL5215936 0.85 PPARD (0.70) PPARDPPARAPPARGFFAR1
SCHEMBL5216218 0.85 PPARD (0.70) PPARDPPARAPPARGFFAR1
SCHEMBL5219186 0.83 PPARD (0.65) PPARDPPARAPPARGFFAR1
SCHEMBL5221878 0.83 PPARD (0.65) PPARDPPARAPPARGFFAR1
SCHEMBL5219192 0.83 PPARD (0.65) PPARDPPARAPPARGFFAR1
SCHEMBL5218333 0.82 PPARD (0.57) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL6238901 0.82 PPARD (1.00) PPARDPPARAPPARGFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP claimed
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 WO claimed
EP-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 WO disclosed