SCHEMBL7980282

SCHEMBL7980282

CC(C)CNC(=O)[C@H](Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.64
CTSK P43235 17/20 0.64
CTSB P07858 5/20 0.64
CTSL P07711 4/20 0.64

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
SCHEMBL8107172 1.00 CTSS (0.64) CTSSCTSKCTSBCTSL
SCHEMBL18930492 0.86 CTSS (0.63) CTSSCTSKCTSBCTSL
SCHEMBL9259839 0.86 CTSS (0.63) CTSSCTSKCTSBCTSL
SCHEMBL9259835 0.86 CTSS (0.63) CTSSCTSKCTSBCTSL
SCHEMBL16908168 0.85 CTSS (0.73) CTSSCTSKCTSBCTSL
SCHEMBL14485901 0.85 CTSS (0.74) CTSSCTSKCTSBCTSL
SCHEMBL7987506 0.85 CTSS (0.62) CTSSCTSKCTSBCTSL
SCHEMBL7987504 0.85 CTSS (0.62) CTSSCTSKCTSBCTSL
SCHEMBL18930772 0.84 CTSS (0.55) CTSSCTSKCTSBCTSL
SCHEMBL1350138 0.83 PTPN1 (0.62) CTSSCTSKCTSBCTSL

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
US-6284912-B1 Process for synthesizing para-and/or meta-substituted cyanophenyalanine derivatives LG CHEMICAL, LTD. (KR) 2001-09-04 US disclosed
EP-1043309-A1 Process for synthesizing para-and/or meta-substituted cyanophenylalanine derivatives LG Chemical Ltd. (KR) 2000-10-11 EP disclosed