SCHEMBL5314604

SCHEMBL5314604

C1CCOCCNCCOCCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.75
KMT2A Q03164 1/20 0.75
KDM4E B2RXH2 1/20 0.65
GAA P10253 1/20 0.65
CYP2C9 P11712 1/20 0.65
ALDH1A1 P00352 2/20 0.50
TTR P02766 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
APEX1 P27695 1/20 0.32
CXCR4 P61073 1/20 0.32

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
SCHEMBL9400799 1.00 MEN1 (0.75) MEN1KMT2AKDM4EGAACYP2C9
SCHEMBL9400796 0.97 MEN1 (0.71) MEN1KMT2AKDM4EGAACYP2C9
Morpholine SCHEMBL4121473 0.97 MEN1 (0.69) MEN1KMT2AKDM4EGAACYP2C9
Morpholine SCHEMBL22582364 0.97 MEN1 (0.69) MEN1KMT2AKDM4EGAACYP2C9
SCHEMBL21917853 0.94 MEN1 (0.67) MEN1KMT2AKDM4EGAACYP2C9
SCHEMBL8385323 0.94 MEN1 (0.67) MEN1KMT2AKDM4EGAACYP2C9
SCHEMBL8385325 0.94 MEN1 (0.67) MEN1KMT2AKDM4EGAACYP2C9
SCHEMBL14962532 0.94 MEN1 (0.67) MEN1KMT2AKDM4EGAACYP2C9
Morpholine SCHEMBL11883179 0.94 MEN1 (0.65) MEN1KMT2AKDM4EGAACYP2C9
Morpholine SCHEMBL1932496 0.94 MEN1 (0.73) MEN1KMT2AKDM4EGAACYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180159132-A1 ANODE ACTIVE MATERIAL PARTICLES WITH ARTIFICIAL SEl-LAYER BY MEANS OF GRAFT-TO-POLYMERIZATION ROBERT BOSCH GMBH (DE) 2018-06-07 US disclosed
WO-2007055700-A1 LUMINESCENT LANTHANIDE BINDING CHELATES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-05-18 WO disclosed
EP-0369733-A2 Fluorescent indicator dyes for alkali metal cations, their preparation and use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1990-05-23 EP disclosed