SCHEMBL7323726

SCHEMBL7323726

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCCC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.71
CTSS P25774 4/20 0.60
CTSK P43235 4/20 0.60
CTSB P07858 2/20 0.60
CTSL P07711 1/20 0.60
REN P00797 2/20 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
KLK5 Q9Y337 1/20 0.51
LTA4H P09960 1/20 0.50
CA2 P00918 1/20 0.49
APP P05067 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
SCHEMBL1791039 0.92 ACE (0.78) ACECTSSCTSKCTSBCTSL
SCHEMBL7326335 0.92 ACE (0.78) ACECTSSCTSKCTSBCTSL
SCHEMBL27669147 0.90 ACE (0.71) ACECTSSCTSKCTSBCTSL
SCHEMBL10536264 0.87 ACE (0.70) ACECTSSCTSKCTSBCTSL
SCHEMBL17688687 0.87 ACE (0.70) ACECTSSCTSKCTSBCTSL
SCHEMBL9262578 0.86 ACE (0.65) ACECTSSCTSKCTSBCTSL
SCHEMBL18669021 0.85 ACE (0.58) ACECTSSCTSKCTSBCTSL
SCHEMBL21074162 0.85 ACE (0.58) ACECTSSCTSKCTSBCTSL
SCHEMBL27137271 0.85 ACE (0.58) ACECTSSCTSKCTSBCTSL
SCHEMBL16909174 0.84 CTSS (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5455271-A Using aromatic amine derivitives as mosquito insecticide THE SCRIPPS RESEARCH INSTITUTE (US) 1995-10-03 US disclosed
WO-1994000420-A1 NOVEL TIGHT-BINDING INHIBITORS OF LEUKOTRIENE A4 HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 1994-01-06 WO 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