SCHEMBL4391076

SCHEMBL4391076

Cc1oc(-c2ccccc2)nc1CCOc1cccc(CSC(C)C(=O)O)c1.[NaH]

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.63
PPARA Q07869 20/20 0.63
PPARD Q03181 2/20 0.58

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
SCHEMBL4400788 0.99 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL4391084 0.98 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL4397134 0.92 PPARG (0.62) PPARGPPARA
SCHEMBL4391078 0.91 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4391015 0.84 PPARG (0.69) PPARGPPARA
SCHEMBL4401827 0.83 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL4391054 0.82 PPARG (0.75) PPARGPPARA
SCHEMBL13719427 0.82 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL4393462 0.82 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL4391194 0.82 PPARG (0.64) 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 4 patents. 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
EP-1067109-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP claimed
EP-1067109-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-12-09 EP disclosed
EP-1067109-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP disclosed