Chrysin

Chrysin

SCHEMBL28616643

CCCC(=O)OCC.O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12

nearest known ligand 0.68

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.68
CYP2C9 P11712 3/20 0.68
CYP2C19 P33261 3/20 0.68
ABCB1 P08183 2/20 0.68
MAPT P10636 2/20 0.68
ABCG2 Q9UNQ0 2/20 0.68
KDM4E B2RXH2 2/20 0.68
ALDH1A1 P00352 2/20 0.68
CYP1A2 P05177 2/20 0.68
HPGD P15428 2/20 0.68
MEN1 O00255 1/20 0.68
GABRP O00591 1/20 0.68
GABRD O14764 1/20 0.68
CA12 O43570 1/20 0.68
AKR1B10 O60218 1/20 0.68
SLCO2B1 O94956 1/20 0.68
CCNB2 O95067 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 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
Chrysin SCHEMBL28616903 0.88 XDH (0.76) CYP3A4CYP2C9CYP2C19ABCB1MAPT
Chrysin SCHEMBL28616108 0.86 ABCB1 (0.73) CYP3A4CYP2C9CYP2C19ABCB1MAPT
SCHEMBL28922626 0.86 EGFR (0.69) CYP3A4CYP2C9CYP2C19ABCB1MAPT
SCHEMBL28421385 0.85 EGFR (0.72) CYP3A4CYP2C9CYP2C19ABCB1MAPT
Chrysin SCHEMBL29257724 0.84 MAPT (0.86) CYP3A4CYP2C9CYP2C19ABCB1MAPT
SCHEMBL4053857 0.84 KDM4E (0.80) CYP3A4CYP2C9CYP2C19ABCB1MAPT
Chrysin SCHEMBL28551986 0.83 MAPT (0.89) CYP3A4CYP2C9CYP2C19ABCB1MAPT
Chrysin SCHEMBL28168227 0.83 MAPT (0.89) CYP3A4CYP2C9CYP2C19ABCB1MAPT
Chrysin SCHEMBL23530151 0.83 MAPT (0.94) CYP3A4CYP2C9CYP2C19ABCB1MAPT
Chrysin SCHEMBL44474 0.82 MAPT (1.00) CYP3A4CYP2C9CYP2C19ABCB1MAPT

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-113321634-A Long-chain primary amide chrysin derivative and preparation method and application thereof 武汉轻工大学 2021-08-31 CN disclosed