SCHEMBL5610698

SCHEMBL5610698

CC(=O)NCC(O)C(=O)NN

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.42
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NPC1 O15118 1/20 0.34
MTNR1A P48039 7/20 0.33
MTNR1B P49286 7/20 0.33
PAOX Q6QHF9 2/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ANPEP P15144 1/20 0.31
DNPEP Q9ULA0 1/20 0.31

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
SCHEMBL14636768 0.80 KDM4E (0.36) HIF1AKDM4EMAPK1NPC1MTNR1A
SCHEMBL7082573 0.75 OR51E2 (0.42) HIF1AKDM4EMAPK1NPC1MTNR1A
SCHEMBL16540830 0.72
SCHEMBL1149812 0.72
SCHEMBL5708349 0.71 CTSD (0.35) HIF1AKDM4EMAPK1NPC1MTNR1A
SCHEMBL5708350 0.71 CTSD (0.35) HIF1AKDM4EMAPK1NPC1MTNR1A
SCHEMBL1866034 0.71 KDM4E (0.43) HIF1AKDM4EMAPK1CA2NPC1
SCHEMBL1866035 0.71 KDM4E (0.43) HIF1AKDM4EMAPK1CA2NPC1
SCHEMBL13411703 0.71 KDM4E (0.43) HIF1AKDM4EMAPK1CA2NPC1
SCHEMBL7826230 0.71

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-1863827-A1 HYDROGELS FOR THE CONTROLLED RELEASE OF BIOACTIVE MATERIALS FIRMENICH SA (CH) 2007-12-12 EP disclosed
WO-2006100647-A1 HYDROGELS FOR THE CONTROLLED RELEASE OF BIOACTIVE MATERIALS FIRMENICH SA (CH) 2006-09-28 WO disclosed