SCHEMBL13846135

SCHEMBL13846135

O=C(/C=C/c1ccc(O)c(O)c1)NCOc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ CYP3A4 P08684 3/20 0.57
▸ RECQL P46063 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ AKR1B1 P15121 3/20 0.57
▸ IPMK Q8NFU5 3/20 0.57
▸ IP6K2 Q9UHH9 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ APP P05067 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ THRB P10828 2/20 0.57
▸ ELAVL3 Q14576 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ CYP1A2 P05177 4/20 0.56
▸ BCL9 O00512 3/20 0.56
▸ CTNNB1 P35222 3/20 0.56
▸ POLH Q9Y253 3/20 0.56
▸ XDH P47989 3/20 0.56

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
SCHEMBL3985496 0.84 MEN1 (0.64) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL21139389 0.83 MEN1 (0.54) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL13846134 0.82 POLH (0.58) MEN1KMT2AKDM4ERECQLHSD17B10
SCHEMBL13846215 0.81 POLH (0.49) APPBCL9CTNNB1POLHALOX5
SCHEMBL28415079 0.80 MEN1 (0.74) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL21139372 0.80 MEN1 (0.50) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL13846136 0.79 POLH (0.66) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL13846223 0.78 POLH (0.65) MEN1KMT2AKDM4ECYP3A4RECQL
Curcumin SCHEMBL20291461 0.78 MEN1 (0.68) MEN1KMT2AKDM4ECYP3A4RECQL
SCHEMBL5126336 0.77 MEN1 (0.69) 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
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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