Sugi Predict

Sugi Predict / Compounds / SCHEMBL7670010

SCHEMBL7670010

SCHEMBL7670010

CCCc1c(OCCCCOc2cccc(N3C(=O)SC(=O)C3C)c2)ccc2c(CC(C)(C)C)coc12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 16/20 0.40
▸ PPARG P37231 15/20 0.40
▸ PPARD Q03181 15/20 0.40
▸ GRM2 Q14416 1/20 0.37
▸ PDE5A O76074 2/20 0.33
▸ NR1H2 P55055 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
SCHEMBL7663368 0.92 PPARA (0.40) PPARAPPARGPPARDGRM2NR1H2
SCHEMBL7671701 0.89 PPARA (0.43) PPARAPPARGPPARDPDE5A
SCHEMBL5208436 0.84 PPARA (0.41) PPARAPPARGPPARDGRM2PDE5A
SCHEMBL5208484 0.82 PPARD (0.39) PPARAPPARGPPARDGRM2PDE5A
SCHEMBL7665347 0.81 PPARA (0.43) PPARAPPARGPPARDPDE5A
SCHEMBL5208431 0.78 PPARG (0.57) PPARAPPARGPPARD
SCHEMBL7458629 0.77 PPARA (0.49) PPARAPPARGPPARDGRM2
SCHEMBL7668178 0.76 PPARG (0.39) PPARAPPARGPPARD
SCHEMBL7459290 0.75 PPARG (0.40) PPARAPPARGPPARDGRM2NR1H2
SCHEMBL5205168 0.75 PPARA (0.52) PPARAPPARGPPARDNR1H2

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