SCHEMBL7464894

SCHEMBL7464894

CCCc1c(OCCCCOc2cccc(C3(F)SC(=O)NC3=O)c2)ccc2c(CCc3ccccc3)coc12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.42
PPARA Q07869 15/20 0.42
PPARD Q03181 14/20 0.42
NR1H2 P55055 1/20 0.38
PDE5A O76074 2/20 0.36

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
SCHEMBL7454425 0.92 PPARG (0.43) PPARGPPARAPPARDNR1H2PDE5A
SCHEMBL7663361 0.89 PPARG (0.40) PPARGPPARAPPARDNR1H2
SCHEMBL7458415 0.86 PPARG (0.39) PPARGPPARAPPARDNR1H2
SCHEMBL7664139 0.84 PPARG (0.37) PPARGPPARAPPARDNR1H2
SCHEMBL5211565 0.80 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL7459290 0.80 PPARG (0.40) PPARGPPARAPPARDNR1H2
SCHEMBL7466762 0.79 PPARG (0.53) PPARGPPARAPPARDNR1H2
SCHEMBL7461206 0.78 PPARG (0.39) PPARGPPARAPPARDNR1H2
SCHEMBL5759923 0.77 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL7665347 0.77 PPARA (0.43) PPARGPPARAPPARDPDE5A

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
US-6399640-B1 ANTIDIABETIC AGENTS; ANTICHOLESTEROL AGENTS MERCK & CO., INC. 2002-06-04 US claimed
EP-1194146-A4 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-07-31 EP disclosed
EP-1194146-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2002-04-10 EP disclosed
WO-2000078312-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 WO disclosed