SCHEMBL7987506

SCHEMBL7987506

CCCCNC(=O)C(Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.62
CTSK P43235 12/20 0.62
CTSB P07858 4/20 0.61
CTSL P07711 2/20 0.61
PTPN1 P18031 4/20 0.54
PTPRA P18433 1/20 0.54
AKT1 P31749 1/20 0.52
MGLL Q99685 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
SCHEMBL7987504 1.00 CTSS (0.62) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL8107172 0.85 CTSS (0.64) CTSSCTSKCTSBCTSL
SCHEMBL7980282 0.85 CTSS (0.64) CTSSCTSKCTSBCTSL
SCHEMBL9259835 0.84 CTSS (0.63) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL9259839 0.84 CTSS (0.63) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL18930492 0.84 CTSS (0.63) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL14485901 0.83 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL21318569 0.83 CTSS (0.67) CTSSCTSKPTPN1PTPRA
SCHEMBL7064468 0.83 PTPN1 (0.61) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL5665787 0.83 CTSS (0.67) CTSSCTSKPTPN1PTPRA

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