SCHEMBL5758694

SCHEMBL5758694

CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCCc1ccc(C2(C)SC(=O)NC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.51
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL5760773 0.94 PPARG (0.56) PPARGNR1H2NR1H3PPARDPPARA
SCHEMBL5758776 0.93 PPARG (0.55) PPARGPPARDPPARA
SCHEMBL5758758 0.92 PPARG (0.52) PPARGNR1H2NR1H3PPARDPPARA
SCHEMBL5755218 0.91 PPARG (0.56) PPARGPPARDPPARA
SCHEMBL5759943 0.90 PPARG (0.51) PPARGNR1H2NR1H3PPARDPPARA
SCHEMBL5756542 0.90 PPARG (0.53) PPARGNR1H2NR1H3PPARDPPARA
SCHEMBL7466142 0.88 PPARG (0.51) PPARGPPARDPPARA
SCHEMBL5758514 0.87 PPARG (0.61) PPARGNR1H2NR1H3PPARDPPARA
SCHEMBL5758321 0.86 PPARG (0.45) PPARGNR1H2NR1H3PPARDPPARA
SCHEMBL5759781 0.86 PPARG (0.61) 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