SCHEMBL28460634

SCHEMBL28460634

COc1cc(C2Oc3cc(O)cc(OC)c3C(=O)C2O)ccc1O

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.68
▸ SLCO1B3 Q9NPD5 4/20 0.68
▸ SLCO1B1 Q9Y6L6 4/20 0.68
▸ CYP3A4 P08684 4/20 0.68
▸ ALOX15 P16050 4/20 0.68
▸ ALDH1A1 P00352 3/20 0.68
▸ SLCO2B1 O94956 3/20 0.68
▸ MAPT P10636 3/20 0.68
▸ HSD17B10 Q99714 3/20 0.68
▸ HPGD P15428 2/20 0.68
▸ KDM4E B2RXH2 2/20 0.68
▸ MEN1 O00255 2/20 0.68
▸ ALOX12 P18054 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ GAA P10253 2/20 0.68
▸ HIF1A Q16665 2/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ F2 P00734 1/20 0.68
▸ PLAU P00749 1/20 0.68
▸ TP53 P04637 1/20 0.68

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
SCHEMBL16887994 0.93 XDH (0.73) CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15
Dihydroisorhamnetin SCHEMBL31237482 0.93 CYP2C9 (0.78) CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15
Dihydroisorhamnetin SCHEMBL30255782 0.93 CYP2C9 (0.78) CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15
Dihydroisorhamnetin SCHEMBL30915472 0.93 CYP2C9 (0.78) CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15
Dihydroisorhamnetin SCHEMBL16887921 0.93 CYP2C9 (0.78) CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15
SCHEMBL28024600 0.92 ALDH1A1 (0.78) CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15
SCHEMBL13750522 0.89 ALDH1A1 (0.63) CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15
SCHEMBL10335311 0.87 XDH (0.67) CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15
SCHEMBL6565198 0.86 ALDH1A1 (0.60) CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15
SCHEMBL19789557 0.86 XDH (0.70) CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15

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-111718318-B Method for separating flavone monomer in spina gleditsiae based on countercurrent chromatography 山东省分析测试中心 2022-04-22 — — CN disclosed
CN-111718318-A Method for separating flavone monomer in spina gleditsiae based on countercurrent chromatography 山东省分析测试中心 2020-09-29 — — CN disclosed
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