SCHEMBL4993085

SCHEMBL4993085

CC(C[CH]C(=O)N[C@@H](C#N)COCc1ccccc1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.53
CTSL P07711 11/20 0.53
CTSK P43235 5/20 0.53
CTSB P07858 7/20 0.47

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
SCHEMBL6802823 0.83 CTSC (0.56) CTSS
SCHEMBL3027455 0.78 CTSS (0.68) CTSSCTSLCTSKCTSB
SCHEMBL3033151 0.77 CTSS (0.61) CTSSCTSLCTSKCTSB
SCHEMBL4505588 0.77 CTSS (0.60) CTSSCTSLCTSKCTSB
SCHEMBL3028847 0.75 CTSS (0.58) CTSSCTSLCTSKCTSB
SCHEMBL17152384 0.74 SMN1; SMN2 (0.43) CTSB
SCHEMBL6495348 0.74 SLC1A1 (0.53)
SCHEMBL16442369 0.74 SLC1A1 (0.53)
SCHEMBL16472154 0.74 SLC1A1 (0.53)
SCHEMBL2918277 0.73 CTSL (0.31) CTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed