SCHEMBL6616535

SCHEMBL6616535

CCc1nc(-c2ccc(C(F)(F)F)cc2)oc1CCOc1ccc(OCC(=O)O)c(C)c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.71
PPARA Q07869 5/20 0.71
PPARG P37231 4/20 0.61
PTPN1 P18031 1/20 0.52

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
SCHEMBL4680872 0.91 PPARD (0.82) PPARDPPARAPPARG
SCHEMBL5218966 0.87 PPARD (0.71) PPARDPPARAPPARG
SCHEMBL6613722 0.86 PPARG (0.74) PPARDPPARAPPARG
SCHEMBL4680724 0.83 PPARD (0.82) PPARDPPARAPPARG
SCHEMBL6238213 0.83 PPARD (1.00) PPARDPPARAPPARG
SCHEMBL5217676 0.83 PPARD (0.66) PPARDPPARAPPARGPTPN1
SCHEMBL6613647 0.79 PPARD (0.58) PPARDPPARAPPARG
SCHEMBL5102109 0.79 PPARG (0.80) PPARDPPARAPPARG
SCHEMBL4676727 0.78 PPARG (0.67) PPARDPPARAPPARGPTPN1
SCHEMBL5125457 0.78 PPARA (0.66) 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-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