SCHEMBL4392775

SCHEMBL4392775

Cc1oc(C2CCCCC2)nc1CCOc1cccc(CSCC(=O)O)c1.[Na]

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.57
PPARA Q07869 19/20 0.57
PPARD Q03181 1/20 0.56
CYP1A2 P05177 1/20 0.46

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
SCHEMBL4391319 0.99 PPARG (0.58) PPARGPPARAPPARDCYP1A2
SCHEMBL4392767 0.98 PPARG (0.57) PPARGPPARAPPARDCYP1A2
SCHEMBL4391370 0.98 PPARG (0.56) PPARGPPARAPPARDCYP1A2
Ethylenediamine SCHEMBL4389581 0.96 PPARG (0.54) PPARGPPARAPPARDCYP1A2
SCHEMBL4394243 0.95 PPARG (0.51) PPARGPPARAPPARDCYP1A2
SCHEMBL4392769 0.91 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL4392770 0.90 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL4398630 0.90 PPARG (0.53) PPARGPPARAPPARD
SCHEMBL13591559 0.89 PPARG (0.46) PPARGPPARAPPARDCYP1A2
SCHEMBL4391012 0.87 PPARG (0.62) 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 2 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 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