SCHEMBL8722981

SCHEMBL8722981

C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.53
SYK P43405 1/20 0.49
PSMB5 P28074 4/20 0.49
CTSS P25774 4/20 0.46
CTSL P07711 3/20 0.46
CTSB P07858 2/20 0.46
PSMB8 P28062 1/20 0.46
PSMB9 P28065 1/20 0.46
REN P00797 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL29813236 0.99 CTSK (0.53) CTSKSYKPSMB5CTSSCTSL
SCHEMBL30999385 0.94 CTSK (0.53) CTSKSYKPSMB5CTSSCTSL
SCHEMBL7904398 0.91 CTSK (0.51) CTSKSYKPSMB5CTSSCTSL
SCHEMBL13570900 0.91 SYK (0.55) CTSKSYKCTSSCTSLCTSB
SCHEMBL9819558 0.91 SYK (0.55) CTSKSYKCTSSCTSLCTSB
SCHEMBL13570899 0.91 SYK (0.55) CTSKSYKCTSSCTSLCTSB
SCHEMBL30999344 0.89 PSMB5 (0.51) CTSKSYKPSMB5CTSSCTSL
SCHEMBL9819550 0.89 CTSK (0.63) CTSKPSMB5CTSSCTSLCTSB
SCHEMBL19944560 0.88 ECE1 (0.50) CTSKSYKPSMB5CTSBREN
SCHEMBL19325104 0.87 SYK (0.51) CTSKSYKPSMB5CTSSCTSL

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-1998035982-A1 COMPOUNDS FOR USE IN ADEPT ZENECA LIMITED (GB) 1998-08-20 WO disclosed