SCHEMBL2580428

SCHEMBL2580428

[C-]#[N+]CCOCCOCCN(Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
REN P00797 1/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL23754645 0.82 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2582068 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2589547 0.80 REN (0.48) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL21065879 0.78 REN (0.42) ALDH1A1MEN1KMT2ALMNAREN
SCHEMBL13722893 0.78 REN (0.42) ALDH1A1MEN1KMT2ALMNAREN
SCHEMBL2568643 0.74 MEN1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2REN
SCHEMBL3884654 0.74 MC4R (0.48) MEN1KMT2A
SCHEMBL21351575 0.73 IDO1 (0.48) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL12989094 0.70 SMN1; SMN2 (0.41) ALDH1A1LMNASMN1; SMN2TSHRKDM4E
SCHEMBL825414 0.70 LMNA (0.63) ALDH1A1MEN1KMT2ALMNASMN1; 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 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