SCHEMBL11036872

SCHEMBL11036872

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H](Cc1cccs1)C(=O)CCC(=S)NC(C)(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.43
▸ CTSS P25774 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.41
▸ ACE P12821 4/20 0.40
▸ ITGB3 P05106 3/20 0.40
▸ ITGA2B P08514 3/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.38
▸ CXCR3 P49682 7/20 0.37
▸ KLK7 P49862 1/20 0.36
▸ KLK5 Q9Y337 1/20 0.36

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
SCHEMBL10668227 0.86 CTSK (0.49) CTSKCTSSUSP30ACEITGB3
SCHEMBL10663870 0.85 ITGB3 (0.41) CTSKCTSSITGB3ITGA2BSIRT5
SCHEMBL11393750 0.85 CTSK (0.41) CTSKCTSSUSP30ACEITGB3
SCHEMBL11075153 0.84 ACE (0.38) ACEITGB3ITGA2BSIRT5CXCR3
SCHEMBL10668564 0.75 KMT2A (0.59) ACEITGB3ITGA2B
SCHEMBL10668348 0.72 ACE (0.48) CTSKCTSSACE
SCHEMBL16847748 0.70 CTSS (0.54) CTSKCTSSITGB3KLK7KLK5
SCHEMBL11040565 0.70 CTSB (0.47) CTSKCTSSACE
SCHEMBL19982985 0.70 MEN1 (0.52) ACEITGB3ITGA2B
SCHEMBL19665743 0.70 MEN1 (0.52) ACEITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0036713-B1 ANGIOTENSIN CONVERTING ENZYME INHIBITORS UNIVERSITY OF MIAMI (US) 1984-01-18 — — EP disclosed
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