SCHEMBL9813178

SCHEMBL9813178

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C(=O)c1c(Cl)cccc1Cl)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.51
CTSK P43235 5/20 0.51
CTSB P07858 3/20 0.51
CTSL P07711 2/20 0.51
ACE P12821 1/20 0.49
AKT1 P31749 1/20 0.48
ATM Q13315 1/20 0.45
KLK5 Q9Y337 1/20 0.44
EPHX2 P34913 1/20 0.44
KMT2A Q03164 1/20 0.43
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
APP P05067 1/20 0.43
PTPN1 P18031 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL9805666 0.84 ACE (0.50) CTSSCTSKCTSBCTSLACE
SCHEMBL18057248 0.79 CTSS (0.60) CTSSCTSKCTSBCTSLACE
SCHEMBL19969174 0.79 CTSS (0.60) CTSSCTSKCTSBCTSLACE
SCHEMBL1764798 0.78 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL6162474 0.78 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL23937297 0.77 CTSS (0.55) CTSSCTSKCTSBCTSLACE
SCHEMBL18181215 0.76 ACE (0.52) CTSSCTSKCTSBCTSLACE
SCHEMBL843946 0.76 ACE (0.52) CTSSCTSKCTSBCTSLACE
SCHEMBL4654386 0.76 CTSS (0.61) CTSSCTSKCTSBCTSLACE
SCHEMBL4654379 0.76 CTSS (0.61) CTSSCTSKCTSBCTSLACE

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
EP-0259396-B1 PROCESS FOR PEPTIDE PRODUCTION BRADACZEK, Hans (DE) 1991-07-24 EP claimed
EP-0259396-A1 PROCESS FOR PEPTIDE PRODUCTION. BRADACZEK HANS (DE) 1988-03-16 EP claimed
WO-1987005292-A1 PROCESS FOR PEPTIDE PRODUCTION BRADACZEK HANS (DE) 1987-09-11 WO claimed
EP-0259396-B1 PROCESS FOR PEPTIDE PRODUCTION BRADACZEK, Hans (DE) 1991-07-24 EP disclosed