SCHEMBL5758539

SCHEMBL5758539

CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc(C2(F)NC(=O)SC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.60
PPARA Q07869 3/20 0.50
PPARD Q03181 1/20 0.50

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
SCHEMBL7464720 0.95 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL5758187 0.94 PPARG (0.53) PPARGPPARAPPARD
SCHEMBL5761651 0.94 PPARG (0.58) PPARGPPARAPPARD
SCHEMBL5759929 0.93 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL5758554 0.91 PPARG (0.53) PPARGPPARAPPARD
SCHEMBL5759501 0.91 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL5761175 0.90 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL5756923 0.90 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL7466146 0.89 PPARG (0.49) PPARGPPARAPPARD
SCHEMBL7470392 0.89 PPARG (0.57) 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