SCHEMBL5757394

SCHEMBL5757394

CCCc1cc(Oc2ccccc2)ccc1OCCCCCc1cccc(C2(C)SC(=O)NC2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.55
PPARA Q07869 4/20 0.47
PPARD Q03181 2/20 0.47

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
SCHEMBL7462057 0.95 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL5756079 0.94 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL5756542 0.94 PPARG (0.53) PPARGPPARAPPARD
SCHEMBL5757993 0.92 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL5756165 0.91 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL5758716 0.91 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL5758776 0.91 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL5761026 0.90 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL5758631 0.89 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL5759781 0.88 PPARG (0.61) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194146-B1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2006-07-19 EP claimed
US-6399640-B1 ANTIDIABETIC AGENTS; ANTICHOLESTEROL AGENTS MERCK & CO., INC. 2002-06-04 US claimed
EP-1194146-B1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2006-07-19 EP disclosed
US-6399640-B1 ANTIDIABETIC AGENTS; ANTICHOLESTEROL AGENTS MERCK & CO., INC. 2002-06-04 US disclosed