SCHEMBL28948784

SCHEMBL28948784

CCC(=O)Oc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.71
▸ KMT2A Q03164 4/20 0.71
▸ KDM4E B2RXH2 3/20 0.71
▸ CYP3A4 P08684 3/20 0.71
▸ RECQL P46063 3/20 0.71
▸ HSD17B10 Q99714 3/20 0.71
▸ LMNA P02545 2/20 0.71
▸ APP P05067 2/20 0.71
▸ MAPT P10636 2/20 0.71
▸ THRB P10828 2/20 0.71
▸ AKR1B1 P15121 2/20 0.71
▸ ELAVL3 Q14576 2/20 0.71
▸ IPMK Q8NFU5 2/20 0.71
▸ TDP1 Q9NUW8 2/20 0.71
▸ IP6K2 Q9UHH9 2/20 0.71
▸ NOX4 Q9NPH5 3/20 0.65
▸ BCL9 O00512 3/20 0.65
▸ CTNNB1 P35222 3/20 0.65
▸ USP2 O75604 2/20 0.65
▸ TP53 P04637 2/20 0.65

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
SCHEMBL28881503 0.90 MEN1 (0.69) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL28320927 0.89 MEN1 (0.68) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL28324557 0.89 MEN1 (0.68) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL28251489 0.88 MEN1 (0.67) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL28482492 0.87 MEN1 (0.76) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL16309503 0.84 MEN1 (0.71) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL28322053 0.84 MEN1 (0.65) MEN1KMT2AKDM4ECYP3A4RECQL
Rhamnetin SCHEMBL29496169 0.83 MEN1 (1.00) MEN1KMT2AKDM4ECYP3A4RECQL
Rhamnetin SCHEMBL555118 0.83 MEN1 (1.00) MEN1KMT2AKDM4ECYP3A4RECQL
Rhamnetin SCHEMBL29453025 0.83 MEN1 (1.00) MEN1KMT2AKDM4ECYP3A4RECQL

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-114907427-A Glucoside derivative of quercetin and preparation method and application thereof 四川省农业科学院农产品加工研究所 2022-08-16 — — CN disclosed
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