SCHEMBL22508709

SCHEMBL22508709

CC(C)(C)OC(=O)NC(CCN)C(=O)NCCC=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.49
CTSK P43235 13/20 0.49
CAPN1 P07384 1/20 0.44
CA2 P00918 1/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
AKT1 P31749 1/20 0.39

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
SCHEMBL14029765 0.89 CTSS (0.53) CTSSCTSKCAPN1CA2CTSL
SCHEMBL14030568 0.88 CTSS (0.52) CTSSCTSKCAPN1CA2CTSL
SCHEMBL14029867 0.83 CA1 (0.53) CTSSCTSKCAPN1CA2
SCHEMBL14029767 0.82 CTSK (0.53) CTSSCTSKCAPN1CA2CTSL
SCHEMBL1023991 0.81 CTSK (0.55) CTSSCTSKCAPN1CA2CTSL
SCHEMBL14029771 0.81 CTSS (0.51) CTSSCTSKCAPN1CA2CTSL
SCHEMBL22508702 0.81 SIRT1 (0.40) CTSSCTSKCTSL
SCHEMBL14030531 0.80 CTSS (0.54) CTSSCTSKCAPN1CA2
SCHEMBL16627725 0.79 CTSK (0.46) CTSSCTSKCAPN1CA2CTSL
SCHEMBL7762812 0.79 CTSK (0.50) CTSSCTSKCA2CTSLCTSB

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
EP-3030545-B1 AMINO ACID DERIVATIVES MEDIMMUNE LTD (GB) 2020-10-07 EP disclosed