SCHEMBL16749952

SCHEMBL16749952

CC(=O)NCCOCCOCCNC(=O)CNCCNCCNCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.42
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
CA2 P00918 4/20 0.34
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA4 P22748 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA3 P07451 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL13893128 0.81 LMNA (0.34) MEN1KMT2AKDM4EMAPK1CA2
SCHEMBL8991727 0.81 ALDH1A1 (0.47) KDM4ECA2CA12CA1CA4
SCHEMBL14274646 0.79 PAOX (0.40) PAOXMEN1KMT2AKDM4EMAPK1
SCHEMBL18545062 0.79 CA1 (0.32) PAOXMEN1KMT2ACA2CA1
SCHEMBL24972126 0.78 PAOX (0.50) PAOXMEN1KMT2AKDM4EMAPK1
SCHEMBL18127638 0.78 PAOX (0.50) PAOXMEN1KMT2AKDM4EMAPK1
SCHEMBL9987483 0.78 PAOX (0.50) PAOXMEN1KMT2AKDM4EMAPK1
SCHEMBL11963633 0.78 PAOX (0.50) PAOXMEN1KMT2AKDM4EMAPK1
SCHEMBL21130883 0.78 PAOX (0.50) PAOXMEN1KMT2AKDM4EMAPK1
SCHEMBL2801261 0.78 PAOX (0.50) PAOXMEN1KMT2AKDM4EMAPK1

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-2015075699-A1 DOTAM DERIVATIVES FOR THERAPEUTIC USE SANOFI (FR) 2015-05-28 WO disclosed