SCHEMBL5729481

SCHEMBL5729481

CCN(C(=O)c1cc(OCCc2nc(N3CCOCC3)sc2C)ccc1CCC(=O)O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.60
PPARA Q07869 13/20 0.60
PPARD Q03181 5/20 0.39
GAA P10253 1/20 0.38
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL4885784 0.83 PPARG (0.67) PPARGPPARA
SCHEMBL4892484 0.81 PPARG (0.65) PPARGPPARA
SCHEMBL4892489 0.81 PPARG (0.65) PPARGPPARA
SCHEMBL4895336 0.80 PPARG (0.68) PPARGPPARAPPARD
SCHEMBL4896308 0.80 PPARG (0.67) PPARGPPARAPPARDLRRK2
SCHEMBL14111159 0.79 PPARG (0.66) PPARGPPARAPPARD
SCHEMBL4892014 0.78 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL14111353 0.77 PPARG (0.76) PPARGPPARAPPARD
SCHEMBL14111144 0.77 PPARG (0.73) PPARGPPARAPPARDGAA
SCHEMBL4889117 0.76 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