SCHEMBL28694077

SCHEMBL28694077

O=c1c(-c2cc(O)c(O)c(O)c2)coc2c(O)c(O)c(O)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 8/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ RECQL P46063 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ BLM P54132 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ APEX1 P27695 1/20 0.58
▸ PTPRS Q13332 1/20 0.58
▸ RGS17 Q9UGC6 1/20 0.58
▸ ALOX12 P18054 8/20 0.51
▸ XDH P47989 2/20 0.51
▸ PFKFB3 Q16875 1/20 0.51
▸ PIK3CA P42336 5/20 0.49
▸ GAA P10253 1/20 0.45

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
SCHEMBL16431186 0.88 MIF (0.59) ALOX15KDM4EALDH1A1CYP3A4MAPT
SCHEMBL29503851 0.88 MIF (0.59) ALOX15KDM4EALDH1A1CYP3A4MAPT
SCHEMBL28437800 0.86 XDH (0.71) ALOX15KDM4EALDH1A1CYP3A4MAPT
SCHEMBL28705298 0.84 ALOX15 (0.73) ALOX15KDM4EALDH1A1CYP3A4MAPT
Irigenol SCHEMBL2465996 0.73 MAPT (1.00) ALOX15KDM4EALDH1A1CYP3A4MAPT
SCHEMBL555129 0.73 XDH (0.76) ALOX15KDM4EALDH1A1CYP3A4MAPT
SCHEMBL29929481 0.73 XDH (0.76) ALOX15KDM4EALDH1A1CYP3A4MAPT
SCHEMBL17938839 0.73 XDH (0.76) ALOX15KDM4EMAPTRECQLMEN1
SCHEMBL29482685 0.73 XDH (0.76) ALOX15KDM4EMAPTRECQLMEN1
SCHEMBL6180056 0.73 XDH (0.62) ALOX15KDM4EALDH1A1CYP3A4MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111606881-B Synthesis method of 3',4',5',6,7, 8-hexahydroxy isoflavone and application thereof in antioxidation 中国人民解放军联勤保障部队第九〇四医院 2022-03-11 — — CN claimed
CN-111606881-B Synthesis method of 3',4',5',6,7, 8-hexahydroxy isoflavone and application thereof in antioxidation 中国人民解放军联勤保障部队第九〇四医院 2022-03-11 — — CN disclosed
CN-111606881-B Synthesis method of 3',4',5',6,7, 8-hexahydroxy isoflavone and application thereof in antioxidation 中国人民解放军联勤保障部队第九〇四医院 2022-03-11 — — CN disclosed
CN-111606881-B Synthesis method of 3',4',5',6,7, 8-hexahydroxy isoflavone and application thereof in antioxidation 中国人民解放军联勤保障部队第九〇四医院 2022-03-11 — — CN disclosed
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