SCHEMBL5205306

SCHEMBL5205306

CCCc1c(OCCCOc2ccc(CC(=O)OC)cc2)ccc2c(CC3CCCCC3)noc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.55
PPARD Q03181 18/20 0.55
PPARG P37231 17/20 0.55
NR1H2 P55055 3/20 0.55
NR1H3 Q13133 3/20 0.55

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
SCHEMBL5204898 0.84 PPARA (0.61) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL5206638 0.83 PPARA (0.65) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL5206055 0.80 PPARG (0.52) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL5209083 0.80 PPARA (0.60) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL5203759 0.80 PPARD (0.83) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL5209274 0.79 PPARA (0.59) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL5209013 0.79 PPARA (0.85) PPARAPPARDPPARG
SCHEMBL7041196 0.78 PPARA (0.61) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL7460491 0.78 GRM2 (0.43) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL7465911 0.78 GRM2 (0.43) PPARAPPARDPPARGNR1H2NR1H3

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