SCHEMBL7659371

SCHEMBL7659371

CCCc1c(OCCCOc2ccc(C3SC(=O)NC3=O)cc2C)ccc2c(CC(C)(C)C)coc12

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.47
PPARD Q03181 3/20 0.46
PPARA Q07869 3/20 0.46

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
SCHEMBL7662376 0.91 PPARG (0.48) PPARGPPARDPPARA
SCHEMBL5208481 0.91 PPARG (0.53) PPARGPPARDPPARA
SCHEMBL5208431 0.88 PPARG (0.57) PPARGPPARDPPARA
SCHEMBL14621683 0.86 PPARG (0.48) PPARGPPARDPPARA
SCHEMBL5211565 0.77 PPARG (0.61) PPARGPPARDPPARA
SCHEMBL5208872 0.76 GRM2 (0.59) PPARGPPARDPPARA
SCHEMBL7661972 0.75 PPARG (0.49) PPARGPPARDPPARA
SCHEMBL7669088 0.73 PPARG (0.49) PPARGPPARDPPARA
SCHEMBL7459290 0.72 PPARG (0.40) PPARGPPARDPPARA
SCHEMBL7663361 0.71 PPARG (0.40) 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