SCHEMBL11075153

SCHEMBL11075153

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)CCC(=S)NC(C)(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.38
▸ ITGB3 P05106 4/20 0.37
▸ ITGA2B P08514 4/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ ATM Q13315 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ CXCR3 P49682 4/20 0.35
▸ PSMB8 P28062 1/20 0.35
▸ PSMB9 P28065 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ SIRT5 Q9NXA8 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
SCHEMBL10668348 0.89 ACE (0.48) ACE
SCHEMBL10668345 0.89 ACE (0.48) ACE
SCHEMBL10667341 0.86 TDP1 (0.43) ACEITGB3ITGA2BTDP1ATM
SCHEMBL10663870 0.85 ITGB3 (0.41) ITGB3ITGA2BMEN1KMT2ACXCR3
SCHEMBL11036872 0.84 CTSK (0.43) ACEITGB3ITGA2BCXCR3SIRT5
SCHEMBL31553483 0.77 TDP1 (0.48) ITGB3ITGA2BTDP1ATMPOLB
SCHEMBL31553482 0.75 TDP1 (0.50) TDP1ATMPOLBNPSR1MEN1
SCHEMBL11394267 0.74 POLB (0.33) ACEITGB3ITGA2BTDP1ATM
SCHEMBL31488230 0.72 TDP1 (0.45) TDP1ATMPOLBNPSR1MEN1
SCHEMBL30665183 0.72 TDP1 (0.48) TDP1ATMPOLBNPSR1MEN1

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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