SCHEMBL3985496

SCHEMBL3985496

O=C(C=Cc1ccc(O)c(O)c1)Oc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.64
▸ KMT2A Q03164 5/20 0.64
▸ KDM4E B2RXH2 3/20 0.64
▸ CYP3A4 P08684 3/20 0.64
▸ RECQL P46063 3/20 0.64
▸ HSD17B10 Q99714 3/20 0.64
▸ AKR1B1 P15121 3/20 0.64
▸ IPMK Q8NFU5 3/20 0.64
▸ IP6K2 Q9UHH9 3/20 0.64
▸ LMNA P02545 2/20 0.64
▸ APP P05067 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ THRB P10828 2/20 0.64
▸ ELAVL3 Q14576 2/20 0.64
▸ TDP1 Q9NUW8 2/20 0.64
▸ CYP1A2 P05177 5/20 0.61
▸ CYP1A1 P04798 4/20 0.61
▸ CYP1B1 Q16678 4/20 0.61
▸ NOX4 Q9NPH5 3/20 0.61
▸ XDH P47989 3/20 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
SCHEMBL3989919 0.91 NOX4 (0.59) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL3404530 0.84 AKR1B1 (0.64) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL13846135 0.84 MEN1 (0.57) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL28482492 0.82 MEN1 (0.76) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL21139389 0.81 MEN1 (0.54) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL28881503 0.81 MEN1 (0.69) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL21139370 0.80 MEN1 (0.55) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL28948784 0.80 MEN1 (0.71) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL28320927 0.80 MEN1 (0.68) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL16309503 0.80 MEN1 (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115343372-A Method for analyzing difference flavor components of different varieties of Fenghuang Dancong tea 华南农业大学 2022-11-15 — — CN disclosed
WO-2009064485-A1 ANTIOXIDANT FLAVONOID DERIVATIVES TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-05-22 — — WO disclosed
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