SCHEMBL5205915

SCHEMBL5205915

CCCc1c(OCCCCOc2cccc(C(O)C(=O)OCC)c2)ccc2c(C(F)(F)F)noc12

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.59
PPARA Q07869 13/20 0.59
PPARD Q03181 12/20 0.59
NR1H2 P55055 4/20 0.59
NR1H3 Q13133 4/20 0.59

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
SCHEMBL7466807 0.92 PPARG (0.63) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL5208979 0.91 PPARG (0.60) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7467414 0.86 PPARG (0.64) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6175211 0.79 NR1H3 (0.66) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL3981210 0.78 PPARG (0.62) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL5204013 0.76 PPARG (0.57) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL5953868 0.76 NR1H3 (0.69) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6371470 0.76 NR1H3 (0.75) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6366557 0.75 NR1H3 (0.67) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6102222 0.75 NR1H2 (0.70) PPARGPPARAPPARDNR1H2NR1H3

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