SCHEMBL5208484

SCHEMBL5208484

CCCc1c(OCCCOc2cccc(N3CC(=O)SC3=O)c2)ccc2c(CC(C)(C)C)coc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.39
PPARG P37231 13/20 0.39
PPARA Q07869 13/20 0.39
GRM2 Q14416 1/20 0.38
PDE5A O76074 1/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34

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
SCHEMBL5208436 0.98 PPARA (0.41) PPARDPPARGPPARAGRM2PDE5A
SCHEMBL5211567 0.87 PPARA (0.43) PPARDPPARGPPARAPDE5A
SCHEMBL7663368 0.82 PPARA (0.40) PPARDPPARGPPARAGRM2NR1H2
SCHEMBL7670010 0.82 PPARA (0.40) PPARDPPARGPPARAGRM2PDE5A
SCHEMBL7458629 0.76 PPARA (0.49) PPARDPPARGPPARAGRM2CYSLTR2
SCHEMBL5204448 0.76 PPARG (0.40) PPARDPPARGPPARACYSLTR2CYSLTR1
SCHEMBL5208431 0.75 PPARG (0.57) PPARDPPARGPPARA
SCHEMBL7459290 0.74 PPARG (0.40) PPARDPPARGPPARAGRM2NR1H2
SCHEMBL5205168 0.74 PPARA (0.52) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL5211391 0.74 PPARG (0.40) 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 4 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
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
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