Hesperetin

Hesperetin

SCHEMBL20929082

COc1ccc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 1.00
CYP1A1 P04798 6/20 1.00
CYP1A2 P05177 6/20 1.00
CYP1B1 Q16678 6/20 1.00
CYP3A4 P08684 5/20 1.00
TP53 P04637 3/20 1.00
CA12 O43570 3/20 1.00
CA4 P22748 3/20 1.00
CYP2C19 P33261 3/20 1.00
CA7 P43166 3/20 1.00
HSD17B10 Q99714 3/20 1.00
MAPT P10636 3/20 1.00
ALDH1A1 P00352 3/20 1.00
XDH P47989 2/20 1.00
HPGD P15428 2/20 1.00
PKM P14618 2/20 1.00
MAPK1 P28482 2/20 1.00
CYP2C9 P11712 2/20 1.00
DPP4 P27487 2/20 1.00
GSK3B P49841 2/20 1.00

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
Hesperetin SCHEMBL6422865 1.00 CYP19A1 (1.00) CYP19A1CYP1A1CYP1A2CYP1B1CYP3A4
Hesperetin SCHEMBL5202121 1.00 CYP19A1 (1.00) CYP19A1CYP1A1CYP1A2CYP1B1CYP3A4
Hesperetin SCHEMBL29534477 1.00 CYP19A1 (1.00) CYP19A1CYP1A1CYP1A2CYP1B1CYP3A4
Hesperetin SCHEMBL29359052 1.00 CYP19A1 (1.00) CYP19A1CYP1A1CYP1A2CYP1B1CYP3A4
Hesperetin SCHEMBL39833 1.00 CYP19A1 (1.00) CYP19A1CYP1A1CYP1A2CYP1B1CYP3A4
Hesperetin SCHEMBL765368 1.00 CYP19A1 (1.00) CYP19A1CYP1A1CYP1A2CYP1B1CYP3A4
Hesperetin SCHEMBL30696626 1.00 CYP19A1 (1.00) CYP19A1CYP1A1CYP1A2CYP1B1CYP3A4
Hesperetin SCHEMBL29484563 1.00 CYP19A1 (1.00) CYP19A1CYP1A1CYP1A2CYP1B1CYP3A4
Hesperetin SCHEMBL31689737 1.00 CYP19A1 (1.00) CYP19A1CYP1A1CYP1A2CYP1B1CYP3A4
Hesperetin SCHEMBL28595598 0.99 CYP19A1 (0.98) CYP19A1CYP1A1CYP1A2CYP1B1CYP3A4

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-2019076021-A1 PREPARATION METHOD FOR HESPERETIN, PREPARATION METHOD FOR HESPERETIN INTERMEDIATE, AND BIOLOGICAL ENZYME USED FOR PREPARING HESPERETIN 邦泰生物工程(深圳)有限公司 2019-04-25 WO disclosed