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Sugi Predict / Compounds / SCHEMBL6989361

SCHEMBL6989361

SCHEMBL6989361

CCOC(=O)C(C)(C)Oc1ccc(OCCc2nc(-c3cccc(CC)c3)oc2C)cc1.CCc1cccc(-c2nc(CCOc3ccc(OC(C)(C)C(=O)O)cc3)c(C)o2)c1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 20/20 0.71
▸ PPARG P37231 15/20 0.71
▸ PPARD Q03181 6/20 0.60

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
SCHEMBL5103143 0.97 PPARA (0.65) PPARAPPARGPPARD
SCHEMBL5106294 0.95 PPARA (0.78) PPARAPPARGPPARD
SCHEMBL5102419 0.91 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL6991817 0.90 PPARA (0.86) PPARAPPARGPPARD
SCHEMBL5125943 0.89 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL6702560 0.89 PPARA (0.71) PPARAPPARGPPARD
SCHEMBL5111167 0.88 PPARA (0.81) PPARAPPARGPPARD
SCHEMBL5105696 0.87 PPARA (0.81) PPARAPPARGPPARD
SCHEMBL5110744 0.86 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL5105287 0.86 PPARA (0.81) PPARAPPARGPPARD

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
EP-1313715-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 — — EP disclosed
WO-2002018355-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-03-07 — — WO disclosed