SCHEMBL13846218

SCHEMBL13846218

O=C(/C=C/c1ccc(O)c(O)c1)NCCCCc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLH Q9Y253 6/20 0.59
▸ APP P05067 4/20 0.53
▸ ALOX5 P09917 7/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ USP2 O75604 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ RECQL P46063 2/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ AKR1B1 P15121 2/20 0.50
▸ BCL9 O00512 1/20 0.50

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
SCHEMBL13846215 0.92 POLH (0.49) POLHAPPALOX5BCL9CTNNB1
SCHEMBL13846223 0.86 POLH (0.65) POLHAPPALOX5MEN1KMT2A
SCHEMBL13846136 0.85 POLH (0.66) POLHAPPALOX5MEN1KMT2A
SCHEMBL13846225 0.84 POLH (0.47) POLHAPPALOX5MEN1KMT2A
SCHEMBL13846134 0.80 POLH (0.58) POLHAPPALOX5MEN1KMT2A
SCHEMBL13846231 0.80 POLH (0.59) POLHALOX5MEN1KMT2AKDM4E
SCHEMBL13846138 0.78 AKR1B1 (0.58) POLHKDM4EPOLBCYP3A4GAA
SCHEMBL15928803 0.78 POLH (0.72) POLHAPPALOX5MEN1KMT2A
SCHEMBL25840608 0.77 POLH (0.87) POLHAPPALOX5MEN1KMT2A
SCHEMBL5169608 0.76 POLH (0.80) POLHAPPALOX5MEN1KMT2A

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
Send feedback