SCHEMBL5730765

SCHEMBL5730765

COc1oc(-c2ccccc2)nc1CCOc1[c]c(CNC(=O)OC(C)C)ccc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.50
PPARA Q07869 17/20 0.50
PPARD Q03181 1/20 0.36

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
SCHEMBL5730171 0.89 PPARG (0.62) PPARGPPARA
SCHEMBL5729379 0.81 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL5359236 0.81 PPARG (0.40) PPARGPPARAPPARD
SCHEMBL4892195 0.77 PPARG (0.82) PPARGPPARAPPARD
SCHEMBL5729663 0.77 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL5350843 0.77 PPARG (0.51) PPARGPPARA
SCHEMBL4895310 0.76 PPARG (0.83) PPARGPPARAPPARD
SCHEMBL5729735 0.76 PPARG (0.49) PPARGPPARA
SCHEMBL5351857 0.75 TP53 (0.59) PPARGPPARA
SCHEMBL5355635 0.75 MAPT (0.52) PPARGPPARA

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