SCHEMBL7765852

SCHEMBL7765852

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCc1ccc(C#N)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.66
CTSK P43235 14/20 0.66
CTSB P07858 5/20 0.66
CTSL P07711 3/20 0.66
AKT1 P31749 1/20 0.56
PPARA Q07869 1/20 0.54
PTPN1 P18031 1/20 0.52

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
SCHEMBL7759155 0.87 CTSS (0.64) CTSSCTSKCTSBCTSLAKT1
SCHEMBL14485901 0.86 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL7987506 0.82 CTSS (0.62) CTSSCTSKCTSBCTSLAKT1
SCHEMBL7987504 0.82 CTSS (0.62) CTSSCTSKCTSBCTSLAKT1
SCHEMBL21010315 0.81 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2440946 0.81 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2999836 0.81 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL13340022 0.81 CTSS (0.65) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2999840 0.81 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL6019878 0.81 CTSS (0.83) CTSSCTSKCTSBCTSLAKT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1101492-A1 NOVEL REMEDIES FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed