SCHEMBL6149680

SCHEMBL6149680

CCc1ccc(COC(=O)N[C@H](C(=O)O)C(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.51
CTSS P25774 3/20 0.51
CTSB P07858 3/20 0.51
CTSK P43235 2/20 0.51
ECE1 P42892 2/20 0.51
MME P08473 1/20 0.51
TYR P14679 1/20 0.50
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 3/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ELANE P08246 2/20 0.46
PRTN3 P24158 1/20 0.46

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
SCHEMBL19607509 0.94 CTSL (0.55) CTSLCTSSCTSBCTSKECE1
SCHEMBL8604954 0.88 CTSL (0.51) CTSLCTSSCTSBCTSKECE1
SCHEMBL1287168 0.88 CTSL (0.63) CTSLCTSSCTSBCTSKECE1
SCHEMBL2978398 0.88 CTSL (0.63) CTSLCTSSCTSBCTSKECE1
SCHEMBL220569 0.88 CTSL (0.63) CTSLCTSSCTSBCTSKECE1
SCHEMBL8671882 0.88 CTSL (0.63) CTSLCTSSCTSBCTSKECE1
SCHEMBL6150990 0.87 TSHR (0.60) CTSLCTSSCTSBCTSKECE1
SCHEMBL5711207 0.86 ATM (0.64) CTSLCTSSCTSBCTSKECE1
SCHEMBL19607650 0.85 CTSL (0.51) CTSLCTSSCTSBCTSKECE1
Isopropylamine SCHEMBL10558459 0.84 CTSL (0.59) CTSLCTSSCTSBCTSKECE1

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-1494700-A2 CASPASE INHIBITORS FOR THE TREATMENT OF DISEASES AND CONDITIONS CAUSED BY EXPOSURE TO RADIONUCLIDES, BIOLOGICAL AGENTS, OR CHEMICAL AGENTS Cytovia, Inc. (US) 2005-01-12 EP claimed
WO-2004002401-A2 CASPASE INHIBITORS FOR THE TREATMENT OF DISEASES AND CONDITIONS CAUSED BY EXPOSURE TO RADIONUCLIDES, BIOLOGICAL AGENTS, OR CHEMICAL AGENTS CYTOVIA, INC. (US) 2004-01-08 WO claimed
EP-1494700-A2 CASPASE INHIBITORS FOR THE TREATMENT OF DISEASES AND CONDITIONS CAUSED BY EXPOSURE TO RADIONUCLIDES, BIOLOGICAL AGENTS, OR CHEMICAL AGENTS Cytovia, Inc. (US) 2005-01-12 EP disclosed
WO-2004002401-A2 CASPASE INHIBITORS FOR THE TREATMENT OF DISEASES AND CONDITIONS CAUSED BY EXPOSURE TO RADIONUCLIDES, BIOLOGICAL AGENTS, OR CHEMICAL AGENTS CYTOVIA, INC. (US) 2004-01-08 WO disclosed