SCHEMBL7759155

SCHEMBL7759155

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)OCc1ccc(C#N)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.64
CTSK P43235 11/20 0.64
CTSB P07858 6/20 0.64
CTSL P07711 4/20 0.64
AKT1 P31749 1/20 0.55
PTPN1 P18031 1/20 0.51
PSMB5 P28074 1/20 0.51
TACR1 P25103 1/20 0.50

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
SCHEMBL7765852 0.87 CTSS (0.66) CTSSCTSKCTSBCTSLAKT1
SCHEMBL1329147 0.85 CTSS (0.56) CTSSCTSKCTSBCTSL
SCHEMBL1329145 0.85 CTSS (0.56) CTSSCTSKCTSBCTSL
SCHEMBL14485901 0.85 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL8830310 0.84 CTSS (0.60) CTSSCTSKCTSBCTSLTACR1
SCHEMBL8443308 0.84 CTSS (0.60) CTSSCTSKCTSBCTSLTACR1
SCHEMBL14598315 0.84 CTSS (0.64) CTSSCTSKCTSBCTSLAKT1
SCHEMBL19837597 0.82 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL18154315 0.82 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL11123304 0.82 CTSS (0.69) 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