SCHEMBL7411664

SCHEMBL7411664

CC(C)[C@](C)(NC(=O)OCc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.53
SYK P43405 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.45
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.43
MME P08473 1/20 0.43
ECE1 P42892 1/20 0.43
PLAU P00749 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
TACR1 P25103 1/20 0.42
AAK1 Q2M2I8 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
SCHEMBL7411667 1.00 CTSS (0.53) CTSSSYKMEN1KMT2AHTT
SCHEMBL7158263 0.89 CTSS (0.50) CTSSSYKMEN1KMT2ACTSL
SCHEMBL7158260 0.89 CTSS (0.50) CTSSSYKMEN1KMT2ACTSL
SCHEMBL6666953 0.89 CTSS (0.50) CTSSSYKMEN1KMT2ACTSL
SCHEMBL6664291 0.86 CRHBP (0.52) CTSSSYKMEN1KMT2ACTSL
SCHEMBL7154604 0.84 CTSS (0.46) CTSSSYKMEN1KMT2ACTSL
SCHEMBL7154600 0.84 CTSS (0.46) CTSSSYKMEN1KMT2ACTSL
SCHEMBL29813445 0.84 CTSS (0.51) CTSSSYKMEN1KMT2AHTT
SCHEMBL8381862 0.84 CTSS (0.53) CTSSSYKMEN1KMT2ACTSL
SCHEMBL7158550 0.84 CA1 (0.46) CTSSSYKMEN1KMT2ACTSL

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-1200457-A2 CYSTEINE PROTEASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2002-05-02 EP disclosed
WO-2001009169-A2 CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2001-02-08 WO disclosed