SCHEMBL11539258

SCHEMBL11539258

CCCCOC(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.46
CTSS P25774 2/20 0.44
SIRT1 Q96EB6 2/20 0.40
SIRT6 Q8N6T7 1/20 0.40
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
TLR2 O60603 3/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
Hydrochloric Acid SCHEMBL7369678 0.99 CTSK (0.45) CTSKCTSSSIRT1SIRT6ITGB3
Hydrochloric Acid SCHEMBL7376884 0.99 CTSK (0.45) CTSKCTSSSIRT1SIRT6ITGB3
SCHEMBL19692119 0.92 CTSK (0.45) CTSKCTSS
SCHEMBL28190852 0.90 CTSK (0.55) CTSKCTSS
SCHEMBL30466182 0.90 CTSK (0.52) CTSKCTSSITGB3ITGA2B
SCHEMBL29931123 0.87 ITGB3 (0.39) CTSKCTSSITGB3ITGA2BATM
SCHEMBL8823889 0.86 ERAP2 (0.46) SIRT1SIRT6TLR2SIRT2SIRT3
SCHEMBL10766995 0.86 ERAP2 (0.46) SIRT1SIRT6TLR2SIRT2SIRT3
SCHEMBL11783967 0.86 ERAP2 (0.46) SIRT1SIRT6TLR2SIRT2SIRT3
SCHEMBL7150850 0.86 CTSK (0.49) CTSKCTSSITGB3ITGA2BATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021133839-A1 METHODS OF PREPARING N6-((2-AZIDOETHOXY)CARBONYL)LYSINE Synthorx, Inc. (US) 2021-07-01 WO disclosed
EP-3024823-A2 INTERCALATING AMINO ACIDS Universität Konstanz (DE) 2016-06-01 EP disclosed
WO-2015011081-A2 INTERCALATING AMINO ACIDS UNIVERSITAET KONSTANZ (DE) 2015-01-29 WO disclosed
US-4178291-A HYPOTENSIVE AGENTS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-12-11 US disclosed
US-4176235-A ANGIOTENSIN COVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-11-27 US disclosed
US-4175199-A Substituted acyl derivatives of amino acids E. R. SQUIBB & SONS, INC. (US) 1979-11-20 US disclosed
US-4140864-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4116962-A ANGIOTENSIN CONVERTING ENXYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1978-09-26 US disclosed