SCHEMBL28997579

SCHEMBL28997579

COc1cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)cc(OC)c1OC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.82
▸ SOST Q9BQB4 2/20 0.67
▸ SYNJ2 O15056 1/20 0.67
▸ APP P05067 1/20 0.67
▸ CYP2C9 P11712 4/20 0.61
▸ CYP3A4 P08684 4/20 0.61
▸ ALOX15 P16050 4/20 0.61
▸ SLCO1B3 Q9NPD5 4/20 0.61
▸ SLCO1B1 Q9Y6L6 4/20 0.61
▸ MAPT P10636 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ SLCO2B1 O94956 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ HPGD P15428 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ ALOX12 P18054 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ GAA P10253 2/20 0.61
▸ HIF1A Q16665 2/20 0.61

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
SCHEMBL7694106 0.95 XDH (0.86) XDHSOSTSYNJ2APPCYP2C9
SCHEMBL30256406 0.91 XDH (0.76) XDHSOSTSYNJ2APPCYP2C9
SCHEMBL4951008 0.91 XDH (0.76) XDHSOSTSYNJ2APPCYP2C9
SCHEMBL30152781 0.90 SOST (0.79) XDHSOSTSYNJ2APPCYP2C9
SCHEMBL30152833 0.90 SOST (0.79) XDHSOSTSYNJ2APPCYP2C9
SCHEMBL15543702 0.90 SOST (0.79) XDHSOSTSYNJ2APPCYP2C9
SCHEMBL15543426 0.90 XDH (1.00) XDHSOSTSYNJ2APPCYP2C9
SCHEMBL31322169 0.89 XDH (0.69) XDHSOSTSYNJ2APPCYP2C9
Dihydroisorhamnetin SCHEMBL30915472 0.87 CYP2C9 (0.78) XDHSOSTSYNJ2APPCYP2C9
Dihydroisorhamnetin SCHEMBL16887921 0.87 CYP2C9 (0.78) XDHSOSTSYNJ2APPCYP2C9

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-115927238-B Glycyrrhiza oxymethyl transferase and application thereof 中国科学院华南植物园 2023-08-01 — — CN claimed
CN-115927238-A Glycyrrhiza uralensis oxygen methyltransferase and application thereof 中国科学院华南植物园 2023-04-07 — — CN claimed
CN-115927238-B Glycyrrhiza oxymethyl transferase and application thereof 中国科学院华南植物园 2023-08-01 — — CN disclosed
CN-115927238-A Glycyrrhiza uralensis oxygen methyltransferase and application thereof 中国科学院华南植物园 2023-04-07 — — CN disclosed
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