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Sugi Predict / Compounds / SCHEMBL7657026

SCHEMBL7657026

SCHEMBL7657026

CCCc1c(OCCCOc2ccc(C3(C)SC(=O)NC3=O)cc2)ccc2c(CCc3ccccc3)noc12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 20/20 0.51
▸ PPARG P37231 19/20 0.51
▸ PPARD Q03181 19/20 0.51
▸ NR1H2 P55055 1/20 0.47
▸ NR1H3 Q13133 1/20 0.47

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
SCHEMBL7663384 0.92 PPARA (0.50) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7665167 0.89 PPARA (0.47) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7467346 0.88 PPARA (0.50) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7466079 0.87 PPARA (0.65) PPARAPPARGPPARD
SCHEMBL7464256 0.87 GRM2 (0.59) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7460491 0.85 GRM2 (0.43) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7460246 0.84 PPARG (0.63) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL5206562 0.82 PPARG (0.55) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7531877 0.82 PPARG (0.38) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7666069 0.81 PPARA (0.47) PPARAPPARGPPARDNR1H2NR1H3

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