SCHEMBL4254298

SCHEMBL4254298

C[C@H](NC(=O)OC(C)(C)C)c1cccc(CBr)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.47
CTSK P43235 5/20 0.46
AKT1 P31749 1/20 0.45
CTSS P25774 4/20 0.44
ATM Q13315 2/20 0.44
CTSB P07858 2/20 0.44
MAPT P10636 1/20 0.44
ACE P12821 1/20 0.43
APP P05067 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
SCHEMBL4254301 1.00 GLS (0.47) GLSCTSKAKT1CTSSATM
SCHEMBL28299509 0.88 CTSK (0.47) GLSCTSKCTSSATMCTSB
SCHEMBL506117 0.88 CTSK (0.47) GLSCTSKCTSSATMCTSB
SCHEMBL30940056 0.87 CTSK (0.46) GLSCTSKCTSSATMCTSB
SCHEMBL29228867 0.87 CTSK (0.46) GLSCTSKCTSSATMCTSB
SCHEMBL30458149 0.87 CTSK (0.46) GLSCTSKCTSSATMCTSB
SCHEMBL14395967 0.86 CTSK (0.47) GLSCTSKCTSSATMCTSB
SCHEMBL14987513 0.86 GLS (0.51) GLSCTSKCTSSATMCTSB
SCHEMBL14987521 0.86 GLS (0.49) GLSCTSKCTSSATMCTSB
SCHEMBL5913936 0.85 GLS (0.46) GLSCTSKCTSSATMCTSB

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-2009053277-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-30 WO disclosed