SCHEMBL7326335

SCHEMBL7326335

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)CCC(=O)O

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.78
CTSS P25774 6/20 0.62
CTSK P43235 5/20 0.62
CTSB P07858 2/20 0.62
CTSL P07711 1/20 0.62
ATM Q13315 1/20 0.55
AKT1 P31749 1/20 0.55
REN P00797 2/20 0.54
KLK5 Q9Y337 1/20 0.53
PPARA Q07869 2/20 0.52
PPARG P37231 1/20 0.52
APP P05067 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL1791039 1.00 ACE (0.78) ACECTSSCTSKCTSBCTSL
SCHEMBL7323726 0.92 ACE (0.71) ACECTSSCTSKCTSBCTSL
SCHEMBL10377248 0.90 ACE (0.65) ACECTSSCTSKCTSBCTSL
SCHEMBL7332128 0.90 ACE (0.65) ACECTSSCTSKCTSBCTSL
SCHEMBL10536264 0.89 ACE (0.70) ACECTSSCTSKCTSBCTSL
SCHEMBL17688687 0.89 ACE (0.70) ACECTSSCTSKCTSBCTSL
SCHEMBL6899564 0.89 CTSS (0.65) ACECTSSCTSKCTSBCTSL
SCHEMBL1793542 0.88 ACE (1.00) ACECTSSCTSKCTSBCTSL
SCHEMBL1793539 0.88 ACE (1.00) ACECTSSCTSKCTSBCTSL
SCHEMBL27669147 0.87 ACE (0.71) ACECTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1039596-A Preparation method in conjunction with the peptide of retroviral Protease SMITHKLINE BECKMAN CORP (US) 1990-02-14 CN disclosed
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed