SCHEMBL8284498

SCHEMBL8284498

CCCCOCC[C@@H]1OC[C@H](O)[C@H]1NC(=O)[C@H](CC1CCCCCC1)NC(=O)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.49
CTSL P07711 13/20 0.46
CTSK P43235 8/20 0.44
CTSB P07858 3/20 0.43
MMP3 P08254 1/20 0.38

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
SCHEMBL8283265 1.00 CTSS (0.49) CTSSCTSLCTSKCTSBMMP3
SCHEMBL6509199 0.86 CTSS (0.52) CTSSCTSLCTSKCTSB
SCHEMBL8283266 0.86 CTSS (0.52) CTSSCTSLCTSKCTSB
SCHEMBL8283439 0.82 CTSK (0.48) CTSSCTSLCTSKCTSB
SCHEMBL16257045 0.74 CTSS (0.57) CTSSCTSLCTSKCTSBMMP3
SCHEMBL16257052 0.74 CTSS (0.57) CTSSCTSLCTSKCTSBMMP3
SCHEMBL16257054 0.74 CTSS (0.60) CTSSCTSLCTSKCTSBMMP3
SCHEMBL16257033 0.72 CTSS (0.61) CTSSCTSLCTSKCTSBMMP3
SCHEMBL16257040 0.72 CTSS (0.58) CTSSCTSLCTSKCTSBMMP3
SCHEMBL16257035 0.71 CTSS (0.55) CTSSCTSLCTSKCTSBMMP3

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
WO-2005082876-A1 C-5 SUBSTITUTED FURANONE DIPEPTIDE CATHEPSIN S INHIBITORS MEDIVIR UK LTD (GB) 2005-09-09 WO disclosed