SCHEMBL6594154

SCHEMBL6594154

CC(C)CC[C@H](NC(=O)Oc1ccsc1)C(=O)NC1C(=O)COC1CN1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 18/20 0.44
CTSS P25774 18/20 0.44
CTSK P43235 18/20 0.44
UTS2R Q9UKP6 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL6588754 0.94 CTSL (0.43) CTSLCTSSCTSKSIGMAR1
SCHEMBL6591250 0.90 CTSL (0.44) CTSLCTSSCTSKUTS2R
SCHEMBL6589454 0.89 CTSL (0.55) CTSLCTSSCTSK
SCHEMBL6588785 0.89 CTSL (0.58) CTSLCTSSCTSK
SCHEMBL6590768 0.88 CTSL (0.50) CTSLCTSSCTSK
SCHEMBL6588768 0.87 CTSL (0.52) CTSLCTSSCTSK
SCHEMBL6483707 0.86 CTSL (0.61) CTSLCTSSCTSK
SCHEMBL6590302 0.85 CTSK (0.34) CTSLCTSSCTSKUTS2R
SCHEMBL6590851 0.85 CTSK (0.48) CTSLCTSSCTSK
SCHEMBL6588736 0.85 CTSL (0.45) CTSLCTSSCTSKUTS2R

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-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP claimed