SCHEMBL7329244

SCHEMBL7329244

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.67
CTSS P25774 5/20 0.60
CTSK P43235 4/20 0.60
CTSB P07858 2/20 0.60
CTSL P07711 1/20 0.60
CA2 P00918 1/20 0.54
KLK5 Q9Y337 1/20 0.54
REN P00797 1/20 0.53
ATM Q13315 1/20 0.53
PPARA Q07869 2/20 0.53
PPARG P37231 1/20 0.53
AKT1 P31749 1/20 0.53
APP P05067 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 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
SCHEMBL10376903 1.00 ACE (0.67) ACECTSSCTSKCTSBCTSL
SCHEMBL7324443 0.88 ACE (0.67) ACECTSSCTSKCTSBCTSL
SCHEMBL7325469 0.86 ACE (0.63) ACECTSSCTSKCTSBCTSL
SCHEMBL7301113 0.86 ACE (0.65) ACECTSSCTSKCTSBCTSL
SCHEMBL1790255 0.85 ACE (0.65) ACECTSSCTSKCTSBCTSL
SCHEMBL606309 0.85 ACE (0.79) ACECTSSCTSKCTSBCTSL
SCHEMBL66220 0.85 ACE (0.79) ACECTSSCTSKCTSBCTSL
SCHEMBL67020 0.85 ACE (0.79) ACECTSSCTSKCTSBCTSL
SCHEMBL21473784 0.85 ACE (0.79) ACECTSSCTSKCTSBCTSL
SCHEMBL795685 0.85 ACE (0.79) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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