SCHEMBL5203941

SCHEMBL5203941

CCCc1c(OCCCOc2cccc(CC(=O)OC)c2)cccc1Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.53
PPARG P37231 7/20 0.53
PPARA Q07869 7/20 0.53
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
LTB4R Q15722 7/20 0.46
LTB4R2 Q9NPC1 5/20 0.46
PLA2G4B P0C869 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL5208770 0.85 PPARD (0.58) PPARDPPARGPPARA
SCHEMBL5209046 0.85 PPARD (0.53) PPARDPPARGPPARAALDH1A1
SCHEMBL5207075 0.82 PPARG (0.58) PPARDPPARGPPARA
SCHEMBL7804122 0.80 PLA2G4B (0.60) PPARGPPARAPLA2G4BKDM4EALDH1A1
SCHEMBL28588436 0.79 KMT2A (0.55) PLA2G4BKDM4EALDH1A1GAA
SCHEMBL5208981 0.79 PPARG (0.51) PPARDPPARGPPARACYSLTR2CYSLTR1
SCHEMBL9402581 0.78 PLA2G4B (0.64) PPARGPPARAPLA2G4B
SCHEMBL5205261 0.78 PPARG (0.57) PPARDPPARGPPARA
SCHEMBL5212010 0.77 PPARG (0.56) PPARDPPARGPPARA
SCHEMBL5209930 0.77 PPARG (0.49) PPARDPPARGPPARACYSLTR2CYSLTR1

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