SCHEMBL5208872

SCHEMBL5208872

CCCc1c(OCCCOc2ccc(C3SC(=O)NC3=O)cc2)ccc2c(CC(C)(C)C)noc12

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.59
PPARG P37231 18/20 0.51
PPARA Q07869 10/20 0.47
PPARD Q03181 9/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47

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
SCHEMBL5205902 0.91 PPARG (0.53) GRM2PPARGPPARAPPARDNR1H2
SCHEMBL5206562 0.87 PPARG (0.55) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL5206734 0.86 PPARG (0.65) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL5206055 0.86 PPARG (0.52) GRM2PPARGPPARAPPARDNR1H2
SCHEMBL5208481 0.84 PPARG (0.53) PPARGPPARAPPARD
SCHEMBL5209341 0.84 PPARG (0.52) PPARGPPARAPPARD
SCHEMBL5204965 0.84 PPARA (0.69) PPARGPPARAPPARD
SCHEMBL7464256 0.81 GRM2 (0.59) GRM2PPARGPPARAPPARDNR1H2
SCHEMBL7461701 0.81 GRM2 (0.58) GRM2PPARGPPARAPPARDNR1H2
SCHEMBL7473597 0.79 PPARD (0.73) GRM2PPARGPPARAPPARDNR1H2

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 10 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-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