SCHEMBL5208436

SCHEMBL5208436

CCCc1c(OCCCCOc2cccc(N3CC(=O)SC3=O)c2)ccc2c(CC(C)(C)C)coc12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.41
PPARG P37231 14/20 0.41
PPARD Q03181 14/20 0.41
GRM2 Q14416 1/20 0.39
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 1/20 0.35
PDE5A O76074 2/20 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
SCHEMBL5208484 0.98 PPARD (0.39) PPARAPPARGPPARDGRM2NR1H2
SCHEMBL5211567 0.88 PPARA (0.43) PPARAPPARGPPARDPDE5A
SCHEMBL7663368 0.84 PPARA (0.40) PPARAPPARGPPARDGRM2NR1H2
SCHEMBL7670010 0.84 PPARA (0.40) PPARAPPARGPPARDGRM2NR1H2
SCHEMBL7458629 0.78 PPARA (0.49) PPARAPPARGPPARDGRM2
SCHEMBL5208431 0.77 PPARG (0.57) PPARAPPARGPPARD
SCHEMBL7459290 0.76 PPARG (0.40) PPARAPPARGPPARDGRM2NR1H2
SCHEMBL5205168 0.76 PPARA (0.52) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL5211391 0.76 PPARG (0.40) PPARAPPARGPPARD
SCHEMBL7663361 0.75 PPARG (0.40) PPARAPPARGPPARDGRM2NR1H2

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