SCHEMBL10944009

SCHEMBL10944009

CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC[C]=O

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.77
CTSK P43235 11/20 0.77
CTSL P07711 3/20 0.77
CTSB P07858 2/20 0.77
CAPN1 P07384 1/20 0.60
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AAK1 Q2M2I8 1/20 0.48

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
SCHEMBL10944015 1.00 CTSS (0.77) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL6257676 0.87 CTSS (1.00) CTSSCTSKCTSLCTSB
SCHEMBL6183558 0.87 CTSS (1.00) CTSSCTSKCTSLCTSB
SCHEMBL996962 0.85 CTSS (0.72) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL10944684 0.85 CTSS (0.72) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL24741085 0.85 CAPN1 (0.74) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL18414075 0.85 CTSS (0.72) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL13764937 0.85 CTSS (0.72) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL7308763 0.84 CTSS (0.70) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL9787700 0.83 CTSS (0.69) CTSSCTSKCTSLCTSBCAPN1

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
US-4515920-A Synthesis of peptides and proteins THE ROCKEFELLER UNIVERSITY (US) 1985-05-07 US disclosed