SCHEMBL4543239

SCHEMBL4543239

Cc1oc(-c2ccc3c(c2)C(=O)CC3=O)nc1CCOc1cccc(COCC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.54
PPARA Q07869 19/20 0.54
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL4551307 0.90 PPARG (0.57) PPARGPPARA
SCHEMBL4393407 0.86 PPARG (0.70) PPARGPPARA
SCHEMBL4544273 0.86 PPARG (0.53) PPARGPPARA
SCHEMBL4399081 0.85 PPARG (0.57) PPARGPPARA
SCHEMBL4543098 0.77 PPARG (0.57) PPARGPPARA
SCHEMBL4395934 0.77 PPARG (0.61) PPARGPPARACYP3A4CYP2C9
SCHEMBL4391437 0.75 PPARG (0.67) PPARGPPARACYP2C9
SCHEMBL4391054 0.75 PPARG (0.75) PPARGPPARA
SCHEMBL4399023 0.75 PPARG (0.52) PPARGPPARACYP3A4CYP2C9
SCHEMBL4389715 0.74 PPARG (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067109-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-12-09 EP claimed