SCHEMBL5730163

SCHEMBL5730163

CCC(=O)N(Cc1cc(OCCc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)ccc1CCC(=O)O)C(=O)OC(C)C

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.71
PPARA Q07869 18/20 0.71
PPARD Q03181 4/20 0.66

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
SCHEMBL4893576 0.89 PPARG (0.73) PPARGPPARAPPARD
SCHEMBL4898812 0.89 PPARG (0.75) PPARGPPARAPPARD
SCHEMBL14111358 0.87 PPARG (0.74) PPARGPPARAPPARD
SCHEMBL4897062 0.85 PPARG (0.68) PPARGPPARAPPARD
SCHEMBL4895436 0.84 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL4891116 0.83 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL20235377 0.83 PPARG (0.87) PPARGPPARAPPARD
SCHEMBL4891304 0.82 PPARG (0.87) PPARGPPARAPPARD
SCHEMBL4896745 0.82 PPARG (0.74) PPARGPPARAPPARD
SCHEMBL4896190 0.82 PPARG (0.66) PPARGPPARAPPARD

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-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed