SCHEMBL8014306

SCHEMBL8014306

O=C(O)COCCCCCCCCCCCCOC1CCCCO1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CES2 O00748 2/20 0.33
ALDH1A1 P00352 1/20 0.32
EPHX2 P34913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
TBXA2R P21731 1/20 0.31
PTGER2 P43116 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL1933912 0.92 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL21657581 0.91 MEN1 (0.48) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL29172381 0.86 MEN1 (0.59) MEN1KMT2AKDM4CALDH1A1TBXA2R
SCHEMBL6526800 0.86 MEN1 (0.59) MEN1KMT2AKDM4CALDH1A1TBXA2R
SCHEMBL10518204 0.86 MEN1 (0.59) MEN1KMT2AKDM4CALDH1A1TBXA2R
SCHEMBL29148468 0.86 MEN1 (0.59) MEN1KMT2AKDM4CALDH1A1TBXA2R
SCHEMBL5118077 0.86 MEN1 (0.59) MEN1KMT2AKDM4CALDH1A1TBXA2R
SCHEMBL4100095 0.86 MEN1 (0.59) MEN1KMT2AKDM4CALDH1A1TBXA2R
SCHEMBL11577255 0.86 MEN1 (0.59) MEN1KMT2AKDM4CALDH1A1TBXA2R
SCHEMBL1532127 0.86 MEN1 (0.59) MEN1KMT2AKDM4CALDH1A1TBXA2R

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-2000063416-A2 F18-LABELED OXA FATTY ACIDS AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2000-10-26 WO disclosed