SCHEMBL5204045

SCHEMBL5204045

CCCc1cc(Oc2ccc(S(C)(=O)=O)cc2)ccc1OCCCOc1cccc(C(Cl)C(=O)OCC)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.53
PPARD Q03181 3/20 0.50
PPARA Q07869 6/20 0.49

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
SCHEMBL5204888 0.93 PPARG (0.54) PPARGPPARDPPARA
SCHEMBL5205409 0.92 PPARG (0.53) PPARGPPARDPPARA
SCHEMBL5209032 0.89 PPARG (0.44) PPARGPPARDPPARA
SCHEMBL5212042 0.85 PPARG (0.53) PPARGPPARDPPARA
SCHEMBL5206827 0.83 PPARG (0.51) PPARGPPARDPPARA
SCHEMBL7473189 0.83 PPARG (0.56) PPARGPPARDPPARA
SCHEMBL5204859 0.83 PPARG (0.44) PPARGPPARDPPARA
SCHEMBL5204736 0.78 PPARG (0.60) PPARGPPARDPPARA
SCHEMBL5206181 0.77 TDP1 (0.47) PPARGPPARDPPARA
SCHEMBL5213887 0.77 PPARG (0.58) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040102-B1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2007-01-24 EP disclosed
EP-1194146-B1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2006-07-19 EP disclosed
EP-1040102-A4 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-11-27 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
US-6200998-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS; ANTICHOLESTEROL, ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. 2001-03-13 US disclosed
WO-2000078312-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 WO disclosed
EP-1040102-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2000-10-04 EP disclosed
US-6008237-A POTENT AGONISTS OF PEROXIDSOME PROLIFERATOR ACTIVATED RECEPTOR; FOR CONTROLLING OR PREVENTING OF DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA, HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS, OBESITY, VASCULAR RESTENOSIS MERCK & CO., INC. (US) 1999-12-28 US disclosed
WO-1999032465-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 1999-07-01 WO disclosed