SCHEMBL7459290

SCHEMBL7459290

CCCc1c(OCCCCOc2cccc(C3(C)SC(=O)NC3=O)c2)ccc2c(CC(C)(C)C)coc12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.40
PPARD Q03181 11/20 0.40
PPARA Q07869 11/20 0.40
NR1H2 P55055 5/20 0.39
GRM2 Q14416 1/20 0.37
NR1H3 Q13133 1/20 0.36

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
SCHEMBL7663361 0.92 PPARG (0.40) PPARGPPARDPPARANR1H2GRM2
SCHEMBL7454425 0.89 PPARG (0.43) PPARGPPARDPPARANR1H2
SCHEMBL5208431 0.81 PPARG (0.57) PPARGPPARDPPARA
SCHEMBL7468050 0.81 PPARG (0.53) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7464894 0.80 PPARG (0.42) PPARGPPARDPPARANR1H2
SCHEMBL7458629 0.77 PPARA (0.49) PPARGPPARDPPARAGRM2
SCHEMBL7663368 0.77 PPARA (0.40) PPARGPPARDPPARANR1H2GRM2
SCHEMBL7461206 0.76 PPARG (0.39) PPARGPPARDPPARANR1H2
SCHEMBL5208436 0.76 PPARA (0.41) PPARGPPARDPPARANR1H2GRM2
SCHEMBL7670010 0.75 PPARA (0.40) PPARGPPARDPPARANR1H2GRM2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399640-B1 ANTIDIABETIC AGENTS; ANTICHOLESTEROL AGENTS MERCK & CO., INC. 2002-06-04 US claimed
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