SCHEMBL11037577

SCHEMBL11037577

CC(C)(NC(=S)CCC(=O)C1CC(Br)CN1C(=O)[C@H](CCCCN)NC(=O)C1CCCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 11/20 0.41
▸ ITGA2B P08514 11/20 0.41
▸ ACE P12821 3/20 0.38
▸ CTSV O60911 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSH P09668 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CTSF Q9UBX1 1/20 0.35

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
SCHEMBL11037582 1.00 ITGB3 (0.41) ITGB3ITGA2BACECTSVCTSL
SCHEMBL11040565 0.81 CTSB (0.47) ACECTSVCTSLCTSBCTSH
SCHEMBL10668345 0.70 ACE (0.48) ACECTSVCTSLCTSBCTSH
SCHEMBL10668348 0.70 ACE (0.48) ACECTSVCTSLCTSBCTSH
SCHEMBL11404366 0.69 ITGB3 (0.52) ITGB3ITGA2BACECTSSCTSK
SCHEMBL11404359 0.69 ITGB3 (0.52) ITGB3ITGA2BACECTSSCTSK
SCHEMBL10666091 0.69 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7890166 0.65 CPB2 (0.55) CTSVCTSLCTSBCTSHCTSS
SCHEMBL9716618 0.65 CPB2 (0.55) CTSVCTSLCTSBCTSHCTSS
SCHEMBL10663870 0.63 ITGB3 (0.41) ITGB3ITGA2BCTSSCTSK

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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