SCHEMBL7694106

SCHEMBL7694106

COc1cc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)cc(O)c1OC

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.86
▸ SOST Q9BQB4 2/20 0.67
▸ SYNJ2 O15056 1/20 0.67
▸ APP P05067 1/20 0.67
▸ CYP3A4 P08684 4/20 0.61
▸ ALOX15 P16050 4/20 0.61
▸ MAPT P10636 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ RECQL P46063 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ GAA P10253 2/20 0.61
▸ ALOX12 P18054 2/20 0.61
▸ HIF1A Q16665 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ SLCO1B3 Q9NPD5 4/20 0.60

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
SCHEMBL28997579 0.95 XDH (0.82) XDHSOSTSYNJ2APPCYP3A4
SCHEMBL15543426 0.93 XDH (1.00) XDHSOSTSYNJ2APPCYP3A4
SCHEMBL30152781 0.91 SOST (0.79) XDHSOSTSYNJ2APPCYP3A4
SCHEMBL30152833 0.91 SOST (0.79) XDHSOSTSYNJ2APPCYP3A4
SCHEMBL15543702 0.91 SOST (0.79) XDHSOSTSYNJ2APPCYP3A4
SCHEMBL4951008 0.89 XDH (0.76) XDHSOSTSYNJ2APPCYP3A4
SCHEMBL30256406 0.89 XDH (0.76) XDHSOSTSYNJ2APPCYP3A4
Tamaraxetin SCHEMBL18235875 0.85 CYP3A4 (0.73) XDHSOSTSYNJ2APPCYP3A4
Dihydroisorhamnetin SCHEMBL16887921 0.85 CYP2C9 (0.78) XDHSOSTSYNJ2APPCYP3A4
Tamaraxetin SCHEMBL16887881 0.85 CYP3A4 (0.73) XDHSOSTSYNJ2APPCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002024678-A1 HOVENODULINOL, AN ACTIVE COMPOUND EXTRACTED FROM HOVENIA DULCIS THUNB, A PROCESS FOR PREPARING THE SAME, AND AN ALCOHOL DECOMPOSING AGENT OR AN AGENT FOR ALLEVATING LINGERING INTOXICATION CONTAINING THE SAME LEE HYEON YONG (KR) 2002-03-28 — — WO disclosed
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