SCHEMBL2582068

SCHEMBL2582068

NCCOCCOCCN(Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
REN P00797 1/20 0.41

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
SCHEMBL3884654 0.87 MC4R (0.48) MEN1KMT2A
SCHEMBL23754645 0.86 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL8327663 0.85 ROCK1 (0.44) ALDH1A1TDP1
SCHEMBL21065879 0.82 REN (0.42) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL13722893 0.82 REN (0.42) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL1023411 0.81 CARM1 (0.55) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL2580428 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL21351575 0.80 IDO1 (0.48) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL31235807 0.80 CARM1 (0.46) SMN1; SMN2CARM1PRMT6PRMT8
SCHEMBL22498765 0.80 CARM1 (0.46) SMN1; SMN2CARM1PRMT6PRMT8

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
EP-2563847-B1 MCR DENDRIMERS LEIBNIZ INST FÜR PFLANZENBIOCHEMIE IPB (DE) 2016-04-13 EP disclosed
EP-2563847-A1 MCR DENDRIMERS Leibniz-Institut für Pflanzenbiochemie (IPB) (DE) 2013-03-06 EP disclosed
WO-2011134607-A1 MCR DENDRIMERS LEIBNIZ-INSTITUT FÜR PFLANZENBIOCHEMIE (DE) 2011-11-03 WO disclosed