SCHEMBL7465911

SCHEMBL7465911

CCCc1c(OCCCOc2ccc(C3(F)SC(=O)NC3=O)cc2)ccc2c(CC3CCCCC3)noc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.43
PPARD Q03181 16/20 0.43
PPARA Q07869 16/20 0.43
PPARG P37231 15/20 0.43
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43

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
SCHEMBL7460491 0.92 GRM2 (0.43) GRM2PPARDPPARAPPARGNR1H2
SCHEMBL7461701 0.87 GRM2 (0.58) GRM2PPARDPPARAPPARGNR1H2
SCHEMBL7663384 0.85 PPARA (0.50) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL5206055 0.84 PPARG (0.52) GRM2PPARDPPARAPPARGNR1H2
SCHEMBL7462717 0.83 PPARG (0.62) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL7462843 0.83 PPARA (0.49) GRM2PPARDPPARAPPARGNR1H2
SCHEMBL7666069 0.82 PPARA (0.47) GRM2PPARDPPARAPPARGNR1H2
SCHEMBL7469528 0.82 PPARA (0.64) PPARDPPARAPPARG
SCHEMBL5205306 0.78 PPARA (0.55) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL7464256 0.78 GRM2 (0.59) GRM2PPARDPPARAPPARGNR1H2

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