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Sugi Predict / Compounds / SCHEMBL7550696

SCHEMBL7550696

SCHEMBL7550696

CCOC(=O)C(C)(C)Oc1ccc(OCCc2nc(-c3cccc(-c4ccc(C(=O)NC(C)(C)C)cc4)c3)oc2C)cc1.CCOC(=O)c1ccc(-c2cccc(-c3nc(CCOc4cccc(OC(C)(C)C(=O)OCC)c4)c(C)o3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 20/20 0.55
▸ PPARG P37231 14/20 0.55
▸ PPARD Q03181 6/20 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
SCHEMBL6701556 0.94 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL6700858 0.92 PPARA (0.57) PPARAPPARGPPARD
SCHEMBL6696913 0.86 PPARA (0.73) PPARAPPARGPPARD
SCHEMBL6703623 0.85 PPARA (0.63) PPARAPPARGPPARD
SCHEMBL6702560 0.84 PPARA (0.71) PPARAPPARGPPARD
SCHEMBL6701536 0.83 PPARA (0.65) PPARAPPARGPPARD
SCHEMBL6700443 0.82 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL6700197 0.81 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL5098183 0.81 PPARG (0.67) PPARAPPARGPPARD
SCHEMBL5103143 0.80 PPARA (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001016120-A9 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS LILLY CO ELI (US) 2002-07-11 — — WO disclosed
EP-1206457-A1 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS ELI LILLY AND COMPANY (US) 2002-05-22 — — EP disclosed
WO-2001016120-A1 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS ELI LILLY AND COMPANY (US) 2001-03-08 — — WO disclosed