SCHEMBL6822170

SCHEMBL6822170

CCOC(=O)NCC(C(=O)NCC#N)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.49
CTSK P43235 8/20 0.49
CTSL P07711 11/20 0.45
CTSB P07858 4/20 0.45
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MIF P14174 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
SCHEMBL6445473 0.90 CTSS (0.49) CTSSCTSKCTSLCTSBESR1
SCHEMBL6443700 0.90 CTSS (0.54) CTSSCTSKCTSLCTSB
SCHEMBL6442192 0.89 ESR1 (0.40) CTSSCTSKCTSLCTSBESR1
SCHEMBL6447927 0.88 CTSK (0.52) CTSSCTSKCTSLCTSBESR1
SCHEMBL6442258 0.88 SMN1; SMN2 (0.48) CTSSCTSKCTSLCTSBESR1
SCHEMBL6446709 0.88 CTSS (0.53) CTSSCTSKCTSLCTSB
SCHEMBL6442459 0.86 SMN1; SMN2 (0.54) CTSSCTSKCTSLCTSBESR1
SCHEMBL6446246 0.84 CTSS (0.60) CTSSCTSKCTSLCTSB
SCHEMBL6443482 0.84 CTSS (0.44) CTSSCTSKCTSLCTSBESR1
SCHEMBL6818834 0.82 CTSS (0.48) CTSSCTSKCTSLCTSB

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-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed