SCHEMBL28705298

SCHEMBL28705298

O=c1c(-c2cc(O)c(O)c(O)c2)coc2c(O)c(O)ccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 7/20 0.73
▸ ALOX12 P18054 6/20 0.73
▸ XDH P47989 2/20 0.73
▸ PFKFB3 Q16875 1/20 0.73
▸ PIK3CA P42336 5/20 0.69
▸ KDM4E B2RXH2 3/20 0.63
▸ RECQL P46063 2/20 0.63
▸ GAA P10253 1/20 0.63
▸ MEN1 O00255 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ PTPRS Q13332 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL29482685 0.89 XDH (0.76) ALOX15ALOX12XDHPFKFB3PIK3CA
SCHEMBL17938839 0.89 XDH (0.76) ALOX15ALOX12XDHPFKFB3PIK3CA
SCHEMBL10562974 0.84 ALOX15 (1.00) ALOX15ALOX12XDHPFKFB3PIK3CA
SCHEMBL30533224 0.84 XDH (1.00) ALOX15ALOX12XDHPFKFB3PIK3CA
SCHEMBL571127 0.84 XDH (1.00) ALOX15ALOX12XDHPFKFB3PIK3CA
SCHEMBL28694077 0.84 ALOX15 (0.58) ALOX15ALOX12XDHPFKFB3PIK3CA
SCHEMBL10558084 0.82 XDH (0.78) ALOX15ALOX12XDHPFKFB3PIK3CA
SCHEMBL10561728 0.82 ALOX15 (1.00) ALOX15ALOX12XDHPFKFB3PIK3CA
SCHEMBL10560725 0.80 ALOX15 (1.00) ALOX15ALOX12XDHPFKFB3PIK3CA
SCHEMBL10564854 0.80 ALOX15 (0.73) ALOX15ALOX12XDHPFKFB3PIK3CA

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
CN-111560000-B Synthesis method of polyhydroxy isoflavone 中国人民解放军联勤保障部队第九〇四医院 2022-04-12 — — 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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