SCHEMBL7205866

SCHEMBL7205866

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.47
CTSK P43235 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
AKT1 P31749 1/20 0.44
ATM Q13315 3/20 0.44
KMT2A Q03164 2/20 0.44
ACE P12821 1/20 0.43
MEN1 O00255 1/20 0.43
KLK5 Q9Y337 1/20 0.43
MAPK1 P28482 1/20 0.41
PAX8 Q06710 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL7205858 1.00 CTSS (0.47) CTSSCTSKCTSLCTSBMMP9
SCHEMBL8200710 0.90 ACE (0.53) CTSSCTSKCTSLCTSBAKT1
SCHEMBL8200707 0.90 ACE (0.53) CTSSCTSKCTSLCTSBAKT1
SCHEMBL7204510 0.88 CTSS (0.41) CTSSCTSKCTSLCTSBMMP9
SCHEMBL7204513 0.88 CTSS (0.41) CTSSCTSKCTSLCTSBMMP9
SCHEMBL8205976 0.87 CTSL (0.50) CTSSCTSKCTSLCTSBMMP9
SCHEMBL7203421 0.87 CTSL (0.50) CTSSCTSKCTSLCTSBMMP9
SCHEMBL7204598 0.86 MAPT (0.51) CTSSCTSKCTSLCTSBMMP9
SCHEMBL7202882 0.85 CTSL (0.44) CTSSCTSKCTSLCTSBMMP9
SCHEMBL7209769 0.85 CCKBR (0.45) CTSSCTSKCTSLCTSBMMP9

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
EP-0921122-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2003-05-21 EP disclosed
EP-0921122-A1 NOVEL EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-06-09 EP disclosed