SCHEMBL5757928

SCHEMBL5757928

CCCc1cc(Oc2ccccc2NS(=O)(=O)c2ccc(C)cc2)ccc1OCCCOc1ccc(C2(C)SC(=O)NC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.45
CACNA1H O95180 4/20 0.44
CACNA1B Q00975 4/20 0.44
TDP1 Q9NUW8 1/20 0.40
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL5759835 0.92 PPARG (0.44) PPARGCACNA1HCACNA1BTDP1PPARD
SCHEMBL5206804 0.83 PPARG (0.68) PPARGPPARDPPARA
SCHEMBL5756704 0.80 PPARG (0.66) PPARGPPARDPPARA
SCHEMBL5759781 0.80 PPARG (0.61) PPARGPPARDPPARA
SCHEMBL5756584 0.78 PPARG (0.63) PPARGPPARDPPARA
SCHEMBL5206181 0.78 TDP1 (0.47) PPARGCACNA1HCACNA1BTDP1PPARD
SCHEMBL5760036 0.78 PPARG (0.59) PPARGPPARDPPARA
SCHEMBL5758631 0.77 PPARG (0.60) PPARGPPARDPPARA
SCHEMBL5758304 0.77 PPARG (0.47) PPARGPPARDPPARA
SCHEMBL5204003 0.77 TDP1 (0.47) PPARGCACNA1HCACNA1BTDP1PPARD

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