Quercetin

Quercetin

SCHEMBL28296830

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.61
▸ KMT2A Q03164 9/20 0.61
▸ CYP1A2 P05177 7/20 0.61
▸ POLH Q9Y253 7/20 0.61
▸ KDM4E B2RXH2 6/20 0.61
▸ HSD17B10 Q99714 6/20 0.61
▸ CYP3A4 P08684 6/20 0.61
▸ CYP1A1 P04798 6/20 0.61
▸ CYP1B1 Q16678 6/20 0.61
▸ MAPT P10636 6/20 0.61
▸ RECQL P46063 5/20 0.61
▸ CYP2C9 P11712 5/20 0.61
▸ ABCB1 P08183 5/20 0.61
▸ IPMK Q8NFU5 5/20 0.61
▸ IP6K2 Q9UHH9 5/20 0.61
▸ XDH P47989 5/20 0.61
▸ ALOX15 P16050 4/20 0.61
▸ HIF1A Q16665 4/20 0.61
▸ POLB P06746 4/20 0.61
▸ CA12 O43570 4/20 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
Quercetin SCHEMBL26963003 0.94 MEN1 (0.62) MEN1KMT2ACYP1A2POLHKDM4E
Quercetin SCHEMBL30690014 0.94 MEN1 (0.62) MEN1KMT2ACYP1A2POLHKDM4E
Quercetin SCHEMBL28340610 0.93 MEN1 (0.61) MEN1KMT2ACYP1A2POLHKDM4E
Quercetin SCHEMBL28192839 0.88 MEN1 (0.69) MEN1KMT2ACYP1A2POLHKDM4E
Quercetin SCHEMBL925101 0.88 MEN1 (0.69) MEN1KMT2ACYP1A2POLHKDM4E
Quercetin SCHEMBL28192239 0.88 MEN1 (0.69) MEN1KMT2ACYP1A2POLHKDM4E
SCHEMBL31191306 0.83 AMY1A (0.52) MEN1KMT2ACYP1A2POLHKDM4E
Quercetin SCHEMBL7180221 0.82 MEN1 (0.81) MEN1KMT2ACYP1A2POLHKDM4E
Quercetin SCHEMBL28881042 0.79 MEN1 (0.83) MEN1KMT2ACYP1A2POLHKDM4E
Quercetin SCHEMBL14342895 0.79 MEN1 (0.87) MEN1KMT2ACYP1A2POLHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109852645-B Quercetin ester and compound thereof 山东省千佛山医院 2022-12-16 — — CN disclosed
CN-109852645-A A kind of Quercetin ester and its compound 山东省千佛山医院 2019-06-07 — — CN disclosed
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