SCHEMBL5760786

SCHEMBL5760786

CCCc1cc(F)ccc1Oc1cccc(OCCCOc2ccccc2C2SC(=O)NC2=O)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.68
PPARD Q03181 3/20 0.59
PPARA Q07869 3/20 0.59

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
SCHEMBL5760789 0.89 PPARG (0.76) PPARGPPARDPPARA
SCHEMBL5760791 0.83 PPARG (0.51) PPARGPPARDPPARA
SCHEMBL5208232 0.81 PPARG (0.73) PPARGPPARDPPARA
SCHEMBL5205732 0.81 PPARG (1.00) PPARGPPARDPPARA
SCHEMBL29374745 0.78 PPARG (1.00) PPARGPPARDPPARA
SCHEMBL5209134 0.78 PPARG (1.00) PPARGPPARDPPARA
SCHEMBL20102718 0.78 PPARG (1.00) PPARGPPARDPPARA
SCHEMBL20102721 0.78 PPARG (1.00) PPARGPPARDPPARA
SCHEMBL5205745 0.77 PPARG (0.81) PPARGPPARDPPARA
SCHEMBL5203570 0.76 PPARG (1.00) 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 5 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 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