SCHEMBL5203759

SCHEMBL5203759

CCCc1c(OCCCOc2ccc(CC(=O)OC)cc2)ccc2c(C(F)(F)F)noc12

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.83
PPARA Q07869 13/20 0.83
PPARG P37231 13/20 0.83
NR1H3 Q13133 12/20 0.83
NR1H2 P55055 10/20 0.83

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
SCHEMBL7046590 0.90 NR1H3 (0.69) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL5204898 0.85 PPARA (0.61) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL5209013 0.85 PPARA (0.85) PPARDPPARAPPARG
SCHEMBL8006436 0.83 NR1H3 (0.69) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL7042314 0.83 NR1H3 (0.72) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL12568386 0.83 PPARG (0.61) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL5206638 0.82 PPARA (0.65) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL7044517 0.82 PPARD (0.86) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL14465301 0.82 PPARG (0.86) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL3977330 0.81 PPARG (0.71) PPARDPPARAPPARGNR1H3NR1H2

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