SCHEMBL932436

SCHEMBL932436

O=C(O)CCOCCOCCOCCN1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL15874989 0.86 MEN1 (0.52) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL23988090 0.83 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL26195711 0.83 MEN1 (0.49) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL25678057 0.82 SMN1; SMN2 (0.63) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL7110335 0.82 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL23251929 0.81 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL15435928 0.81 MEN1 (0.51) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL23987984 0.81 CXCR4 (0.52) MEN1KMT2AKDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL7953543 0.81 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL1494479 0.80 SMN1; SMN2 (0.64) KDM4EALDH1A1CYP1A2MAPK1SMN1; SMN2

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
EP-2448929-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-09 EP disclosed
WO-2011001052-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-06 WO disclosed