SCHEMBL11040565

SCHEMBL11040565

CC(C)(NC(=S)CCC(=O)[C@H](CCCCN)NC(=O)C1CCCC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 9/20 0.47
▸ CTSK P43235 5/20 0.47
▸ CTSS P25774 5/20 0.47
▸ CTSH P09668 4/20 0.47
▸ CTSL P07711 4/20 0.47
▸ CTSF Q9UBX1 2/20 0.47
▸ CTSV O60911 1/20 0.47
▸ ACE P12821 2/20 0.44

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
SCHEMBL10668348 0.82 ACE (0.48) CTSBCTSKCTSSCTSHCTSL
SCHEMBL10668345 0.82 ACE (0.48) CTSBCTSKCTSSCTSHCTSL
SCHEMBL11037577 0.81 ITGB3 (0.41) CTSBCTSKCTSSCTSHCTSL
SCHEMBL11037582 0.81 ITGB3 (0.41) CTSBCTSKCTSSCTSHCTSL
SCHEMBL10663870 0.78 ITGB3 (0.41) CTSKCTSS
SCHEMBL9716618 0.73 CPB2 (0.55) CTSBCTSKCTSSCTSHCTSL
SCHEMBL7890166 0.73 CPB2 (0.55) CTSBCTSKCTSSCTSHCTSL
SCHEMBL19982999 0.73 CTSB (0.56) CTSBCTSKCTSSCTSHCTSL
SCHEMBL19983285 0.73 CTSB (0.56) CTSBCTSKCTSSCTSHCTSL
SCHEMBL19983212 0.73 CTSB (0.56) CTSBCTSKCTSSCTSHCTSL

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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