SCHEMBL5756474

SCHEMBL5756474

CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCCOc1cccc(C2(F)SC(=O)NC2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.61
PPARD Q03181 2/20 0.52
PPARA Q07869 2/20 0.52

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
SCHEMBL5759923 0.95 PPARG (0.62) PPARGPPARDPPARA
SCHEMBL5759494 0.93 PPARG (0.62) PPARGPPARDPPARA
SCHEMBL5757486 0.92 PPARG (0.61) PPARGPPARDPPARA
SCHEMBL5758343 0.91 PPARG (0.64) PPARGPPARDPPARA
SCHEMBL5758406 0.91 PPARG (0.55) PPARGPPARDPPARA
SCHEMBL5756738 0.91 PPARG (0.52) PPARGPPARDPPARA
SCHEMBL7470389 0.91 PPARG (0.57) PPARGPPARDPPARA
SCHEMBL5758514 0.90 PPARG (0.61) PPARGPPARDPPARA
SCHEMBL5758285 0.90 PPARG (0.56) PPARGPPARDPPARA
SCHEMBL5760688 0.90 PPARG (0.53) PPARGPPARDPPARA

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 7 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
EP-1194146-A4 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-07-31 EP disclosed
US-6399640-B1 ANTIDIABETIC AGENTS; ANTICHOLESTEROL AGENTS MERCK & CO., INC. 2002-06-04 US disclosed
EP-1194146-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2002-04-10 EP disclosed
WO-2000078312-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 WO disclosed