SCHEMBL5204448

SCHEMBL5204448

CCCc1c(OCCCOc2cccc(N3CC(=O)SC3=O)c2)ccc2c(CCc3ccccc3)csc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.40
PPARD Q03181 15/20 0.40
PPARA Q07869 13/20 0.40
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
CACNA2D1 P54289 1/20 0.33

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
SCHEMBL5211391 0.98 PPARG (0.40) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL5211567 0.84 PPARA (0.43) PPARGPPARDPPARA
SCHEMBL7669108 0.82 PPARG (0.39) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL7668178 0.82 PPARG (0.39) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL7459824 0.76 PDE5A (0.35) PPARGPPARDPPARA
SCHEMBL5208981 0.76 PPARG (0.51) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL5208484 0.76 PPARD (0.39) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL5211380 0.75 PPARG (0.62) PPARGPPARDPPARA
SCHEMBL5209680 0.74 PPARG (0.57) PPARGPPARDPPARA
SCHEMBL5208436 0.74 PPARA (0.41) PPARGPPARDPPARA

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 7 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
US-6399640-B1 ANTIDIABETIC AGENTS; ANTICHOLESTEROL AGENTS MERCK & CO., INC. 2002-06-04 US disclosed
US-6200998-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS; ANTICHOLESTEROL, ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. 2001-03-13 US 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