SCHEMBL7459286

SCHEMBL7459286

CCCc1c(OCCCOc2ccc(C3(C)SC(=O)NC3=O)cc2)ccc2c(CCc3ccccc3)c[s+]([O-])c12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.36
PPARA Q07869 15/20 0.36
PPARD Q03181 14/20 0.36
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 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
SCHEMBL7663359 0.92 PPARG (0.36) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7663378 0.90 PPARG (0.37) PPARGPPARAPPARDNR1H2
SCHEMBL7531877 0.84 PPARG (0.38) PPARGPPARAPPARDMEN1CYP1A2
SCHEMBL7664139 0.84 PPARG (0.37) PPARGPPARAPPARDNR1H2
SCHEMBL5209077 0.82 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL7657026 0.79 PPARA (0.51) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL5209899 0.76 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL7523011 0.76 PPARG (0.38) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7461206 0.74 PPARG (0.39) PPARGPPARAPPARDNR1H2
SCHEMBL7466079 0.74 PPARA (0.65) PPARGPPARAPPARD

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