SCHEMBL7467346

SCHEMBL7467346

CCCc1c(OCCCOc2ccc(C3(C)SC(=O)NC3=O)cc2)ccc2c(CC(C)(C)c3ccccc3)noc12

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.50
PPARG P37231 18/20 0.50
PPARD Q03181 18/20 0.50
GRM2 Q14416 1/20 0.49
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45

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
SCHEMBL7462843 0.92 PPARA (0.49) PPARAPPARGPPARDGRM2NR1H2
SCHEMBL7464256 0.91 GRM2 (0.59) PPARAPPARGPPARDGRM2NR1H2
SCHEMBL7657026 0.88 PPARA (0.51) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7466079 0.85 PPARA (0.65) PPARAPPARGPPARD
SCHEMBL7665167 0.85 PPARA (0.47) PPARAPPARGPPARDGRM2NR1H2
SCHEMBL7460246 0.83 PPARG (0.63) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL5205902 0.83 PPARG (0.53) PPARAPPARGPPARDGRM2NR1H2
SCHEMBL7461701 0.82 GRM2 (0.58) PPARAPPARGPPARDGRM2NR1H2
SCHEMBL7460491 0.82 GRM2 (0.43) PPARAPPARGPPARDGRM2NR1H2
SCHEMBL7663384 0.80 PPARA (0.50) PPARAPPARGPPARDNR1H2NR1H3

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 5 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
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
WO-2000078312-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 WO disclosed