SCHEMBL7500508

SCHEMBL7500508

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

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.64
CTSK P43235 7/20 0.64
CTSB P07858 2/20 0.64
CTSL P07711 2/20 0.64
ACE P12821 1/20 0.61
AKT1 P31749 1/20 0.58
ATM Q13315 1/20 0.56
KLK5 Q9Y337 1/20 0.54
PPARA Q07869 2/20 0.53
PPARG P37231 1/20 0.53
ABCB1 P08183 1/20 0.53
APP P05067 1/20 0.52
REN P00797 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
SCHEMBL6950132 1.00 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL6950136 1.00 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL7269746 0.92 CTSS (0.70) CTSSCTSKCTSBCTSLACE
SCHEMBL20976440 0.88 CTSS (0.65) CTSSCTSKCTSBCTSLACE
SCHEMBL5651916 0.86 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL5651920 0.86 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL21473784 0.86 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL66220 0.86 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL67020 0.86 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL606309 0.86 ACE (0.79) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0969000-B1 Process for reducing alpha-amino ketones KANEKA CORP (JP) 2002-12-04 EP disclosed
US-6255522-B1 USING AS REDUCING AGENT A REACTION PRODUCT OF ORGANOALUMINUM COMPOUND, SULFONATE AND ALCOHOL KANEKA CORPORATION (JP) 2001-07-03 US disclosed
EP-0969000-A1 PROCESS FOR REDUCING $G(a)-AMINO KETONES KANEKA CORPORATION (JP) 2000-01-05 EP disclosed