SCHEMBL7668178

SCHEMBL7668178

CCCc1c(OCCCCOc2cccc(N3C(=O)SC(=O)C3C)c2)ccc2c(CCc3ccccc3)csc12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.39
PPARD Q03181 12/20 0.39
PPARA Q07869 12/20 0.39
KCNA3 P22001 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL7669108 0.92 PPARG (0.39) PPARGPPARDPPARAKCNA3CYSLTR2
SCHEMBL7671701 0.86 PPARA (0.43) PPARGPPARDPPARA
SCHEMBL7459824 0.85 PDE5A (0.35) PPARGPPARDPPARA
SCHEMBL5211391 0.83 PPARG (0.40) PPARGPPARDPPARAKCNA3CYSLTR2
SCHEMBL5204448 0.82 PPARG (0.40) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL7665347 0.79 PPARA (0.43) PPARGPPARDPPARA
SCHEMBL5211380 0.77 PPARG (0.62) PPARGPPARDPPARA
SCHEMBL5208981 0.77 PPARG (0.51) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL7670010 0.76 PPARA (0.40) PPARGPPARDPPARA
SCHEMBL7461206 0.75 PPARG (0.39) PPARGPPARDPPARA

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 2 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
US-6399640-B1 ANTIDIABETIC AGENTS; ANTICHOLESTEROL AGENTS MERCK & CO., INC. 2002-06-04 US disclosed