SCHEMBL2783277

SCHEMBL2783277

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)c1cnc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.56
CTSK P43235 3/20 0.56
CTSB P07858 2/20 0.56
CTSL P07711 1/20 0.56
ACE P12821 2/20 0.54
REN P00797 3/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
AKT1 P31749 1/20 0.49
ATM Q13315 1/20 0.49
KLK5 Q9Y337 1/20 0.47
CCKAR P32238 1/20 0.47
CCKBR P32239 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 1/20 0.47
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47

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
SCHEMBL2783339 1.00 CTSS (0.56) CTSSCTSKCTSBCTSLACE
SCHEMBL7317825 0.81 REN (0.66) ACEREN
SCHEMBL2108529 0.80 CTSS (0.65) CTSSCTSKCTSBCTSLACE
SCHEMBL27335661 0.79 REN (0.65) REN
SCHEMBL27673678 0.79 REN (0.65) REN
SCHEMBL66220 0.79 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL795685 0.79 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL606309 0.79 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL21473784 0.79 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL7269746 0.79 CTSS (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010117796-A2 PROCESSES FOR THE PREPARATION OF ALPHA-CHLOROKETONES FROM CARBOXYLIC ACIDS CODEXIS, INC. (US) 2010-10-14 WO disclosed