SCHEMBL7325469

SCHEMBL7325469

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

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.63
CTSS P25774 6/20 0.59
CTSK P43235 5/20 0.59
CTSB P07858 3/20 0.59
CTSL P07711 1/20 0.59
CA2 P00918 1/20 0.53
KLK5 Q9Y337 1/20 0.53
REN P00797 3/20 0.53
ATM Q13315 1/20 0.52
AKT1 P31749 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49

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 0.86 ACE (0.67) ACECTSSCTSKCTSBCTSL
SCHEMBL7329244 0.86 ACE (0.67) ACECTSSCTSKCTSBCTSL
SCHEMBL7324288 0.86 PPARA (0.62) ACECTSSCTSKCTSBCTSL
SCHEMBL7301113 0.85 ACE (0.65) ACECTSSCTSKCTSBCTSL
SCHEMBL7324443 0.84 ACE (0.67) ACECTSSCTSKCTSBCTSL
SCHEMBL17688687 0.83 ACE (0.70) ACECTSSCTSKCTSBCTSL
SCHEMBL10536264 0.83 ACE (0.70) ACECTSSCTSKCTSBCTSL
SCHEMBL6516027 0.83 ACE (0.70) ACECTSSCTSKCTSBCTSL
SCHEMBL2603668 0.83 ACE (0.70) ACECTSSCTSKCTSBCTSL
SCHEMBL7105276 0.82 ACE (0.68) 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