SCHEMBL5208530

SCHEMBL5208530

CCCc1c(OCCCOc2ccc(CC(=O)OC)cc2)ccc2c(CCc3ccccc3)csc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.49
PPARA Q07869 16/20 0.49
PPARG P37231 15/20 0.49
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
LTB4R Q15722 2/20 0.43
LTB4R2 Q9NPC1 2/20 0.43
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5209680 0.92 PPARG (0.57) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL5208981 0.90 PPARG (0.51) PPARDPPARAPPARGLTB4RLTB4R2
SCHEMBL7466873 0.83 PPARG (0.45) PPARDPPARAPPARG
SCHEMBL5209686 0.82 PPARG (0.56) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL5204438 0.79 PPARG (0.60) PPARDPPARAPPARG
SCHEMBL5206638 0.79 PPARA (0.65) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6559159 0.78 PPARA (0.63) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL7531877 0.77 PPARG (0.38) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL7523011 0.76 PPARG (0.38) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL5209013 0.74 PPARA (0.85) PPARDPPARAPPARG

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