SCHEMBL8529636

SCHEMBL8529636

CC(C)(C)OC(=O)NC(Cc1ccc(NC(N)=S)s1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.43
CTSK P43235 13/20 0.43
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
TACR1 P25103 2/20 0.37
P2RY2 P41231 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL8529631 1.00 CTSS (0.43) CTSSCTSKCTSLCTSBTACR1
SCHEMBL8422169 0.91 CTSS (0.45) CTSSCTSKCTSLCTSB
SCHEMBL8422170 0.91 CTSS (0.45) CTSSCTSKCTSLCTSB
SCHEMBL8529714 0.85 LMNA (0.47) CTSSCTSKCTSLCTSB
SCHEMBL8529711 0.85 LMNA (0.47) CTSSCTSKCTSLCTSB
SCHEMBL8423620 0.84 CTSK (0.43) CTSSCTSKCTSLCTSBTACR1
SCHEMBL8587115 0.83 CTSS (0.37) CTSSCTSKCTSLCTSBTACR1
SCHEMBL8526634 0.82 CTSS (0.36) CTSSCTSKCTSLCTSBTACR1
SCHEMBL8422157 0.81 CTSS (0.45) CTSSCTSKCTSLCTSBTACR1
SCHEMBL8530056 0.81 CTSS (0.45) CTSSCTSKCTSLCTSBTACR1

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
EP-0705257-B1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS WELLCOME FOUND (GB) 1998-03-11 EP disclosed