SCHEMBL4798962

SCHEMBL4798962

CCOC(=O)C(Cc1ccc(Nc2ccc(OS(C)(=O)=O)cc2)cc1)OCC

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.61
PPARA Q07869 19/20 0.60
PPARD Q03181 11/20 0.43

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
SCHEMBL4798958 1.00 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4795714 0.89 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4076821 0.88 PPARA (0.58) PPARGPPARAPPARD
SCHEMBL4081825 0.88 PPARG (0.53) PPARGPPARA
SCHEMBL4080386 0.88 PPARA (0.58) PPARGPPARAPPARD
SCHEMBL4076344 0.86 PPARA (0.56) PPARGPPARAPPARD
SCHEMBL4072795 0.86 PPARG (0.56) PPARGPPARA
SCHEMBL4073415 0.86 PPARA (0.56) PPARGPPARAPPARD
SCHEMBL4081639 0.84 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL13649262 0.84 PPARG (0.50) 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
US-7314889-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2008-01-01 US disclosed