SCHEMBL5208846

SCHEMBL5208846

CCCc1c(O)ccc2c(CCc3ccccc3)noc12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.44
PPARA Q07869 15/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
PPARD Q03181 10/20 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
SCHEMBL5210820 0.92 PPARA (0.43) PPARGPPARAPPARD
SCHEMBL7039280 0.90 PPARA (0.42) PPARGPPARAKDM4EPPARD
SCHEMBL1995855 0.83 PPARA (0.44) PPARGPPARAKDM4EALDH1A1HPGD
SCHEMBL5210825 0.82 PPARG (0.45) PPARGPPARAPPARD
SCHEMBL7039212 0.82 PPARA (0.38) PPARGPPARAPPARD
SCHEMBL5210388 0.80 PPARA (0.41) PPARGPPARAPPARD
SCHEMBL2000748 0.78 GRM2 (0.48) PPARGPPARAPPARD
SCHEMBL4013334 0.78 PPARA (0.54) PPARGPPARAPPARD
SCHEMBL7044510 0.77 ALOX5 (0.39) PPARGPPARAKDM4EALDH1A1PPARD
SCHEMBL1400579 0.76 PPARD (0.39) PPARGPPARAKDM4EALDH1A1HPGD

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 21 patents — showing the first 20. 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-0948327-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2006-03-08 EP disclosed
EP-0948327-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-04-02 EP disclosed
EP-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP disclosed
US-6515015-B1 In combination with one or more known sulfonylureas, biguanides, alpha -glucosidase inhibitors, other insulin secretogogues or insulin MERCK & CO. INC. 2003-02-04 US 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
US-6160000-A Antidiabetic agents based on aryl and heteroarylacetic acids MERCK & CO., INC. (US) 2000-12-12 US disclosed
EP-1040102-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2000-10-04 EP disclosed
US-6090839-A REDUCING TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US disclosed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US 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
EP-0948327-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-10-13 EP disclosed
WO-1999032465-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 1999-07-01 WO disclosed
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP disclosed
WO-1998027974-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1998-07-02 WO disclosed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed