Bonducellin

Bonducellin

SCHEMBL31053952

COc1ccc(/C=C2\COc3cc(O)ccc3C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 1.00
MIF P14174 4/20 0.79
CYP3A4 P08684 3/20 0.71
MAPT P10636 3/20 0.71
ALDH1A1 P00352 2/20 0.69
TP53 P04637 2/20 0.69
MAPK1 P28482 2/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
KDM4E B2RXH2 1/20 0.69
USP2 O75604 1/20 0.69
HPGD P15428 1/20 0.69
ALOX15 P16050 1/20 0.69
HSD17B10 Q99714 1/20 0.69
APP P05067 1/20 0.67
LMNA P02545 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
KIT P10721 1/20 0.65
CES2 O00748 1/20 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
Isobonducellin SCHEMBL31238399 1.00 MAOB (1.00) MAOBMIFCYP3A4MAPTALDH1A1
SCHEMBL29837280 0.88 MIF (1.00) MAOBMIFCYP3A4MAPTALDH1A1
SCHEMBL5725497 0.86 MAPT (0.77) MAOBMIFCYP3A4MAPTALDH1A1
SCHEMBL30274371 0.85 CXCL12 (0.80) MAOBMIFCYP3A4MAPTALDH1A1
SCHEMBL14160665 0.85 MAPT (0.82) MAOBMIFCYP3A4MAPTALDH1A1
SCHEMBL25035409 0.85 CXCL12 (0.80) MAOBMIFCYP3A4MAPTALDH1A1
SCHEMBL5726073 0.84 MAOB (0.72) MAOBMIFCYP3A4MAPTALDH1A1
Sappanone A 7-Methyl Ether SCHEMBL14479894 0.83 MAPT (1.00) MAOBMIFCYP3A4MAPTALDH1A1
SCHEMBL8785149 0.82 MAOB (0.73) MAOBMIFCYP3A4MAPTALDH1A1
SCHEMBL8785142 0.82 MAOB (0.73) MAOBMIFCYP3A4MAPTALDH1A1

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
CN-118634256-A Preparation method of holly extract 浙江理工大学绍兴生物医药研究院有限公司 2024-09-13 CN disclosed