SCHEMBL1661759

SCHEMBL1661759

CC(=O)NC([C]=O)CCCCN

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
PAOX Q6QHF9 3/20 0.41
GSR P00390 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
CPB2 Q96IY4 2/20 0.37
FOLH1 Q04609 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
TLR2 O60603 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34

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
SCHEMBL1328597 1.00 SIRT6 (0.44) SIRT6SIRT1PAOXGSRRNPEP
SCHEMBL28158999 0.94 SIRT6 (0.39) SIRT6SIRT1PAOXGSRRNPEP
SCHEMBL28335157 0.83 GSR (0.44) SIRT6SIRT1GSRRNPEPCPB2
SCHEMBL27849229 0.82 DPP8 (0.37) SIRT6SIRT1PAOXGSRRNPEP
SCHEMBL109296 0.81 PLA2G2C (0.45) SIRT6SIRT1CA2
SCHEMBL5494838 0.81 GSR (0.38) SIRT6SIRT1GSRRNPEPCPB2
SCHEMBL5155641 0.81 GSR (0.38) SIRT6SIRT1GSRRNPEPCPB2
SCHEMBL1649294 0.81 PLA2G2C (0.44) SIRT6SIRT1CA1CA2DPP8
SCHEMBL4323327 0.81 PLA2G2C (0.44) SIRT6SIRT1CA1CA2DPP8
SCHEMBL9115885 0.81 DPP7 (0.41) SIRT6SIRT1GSRRNPEPCPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116390731-A Combined cancer therapy with pentaaza macrocyclic complexes and hormonal therapeutic agents 加莱拉实验室有限责任公司 2023-07-04 CN disclosed
EP-2483398-A2 ACETYL LYSINE INCORPORATION WITH tRNA SYNTHETASE Medical Research Council (United Kingdom) (GB) 2012-08-08 EP disclosed
US-20120190825-A1 ACETYL LYSINE INCORPORATION WITH tRNA SYNTHETASE MEDICAL RESEARCH COUNCIL (GB) 2012-07-26 US disclosed
WO-2011039519-A2 ACETYL LYSINE INCORPORATION WITH tRNA SYNTHETASE MEDICAL RESEARCH COUNCIL (UNITED KINGDOM) (GB) 2011-04-07 WO disclosed