SCHEMBL6594449

SCHEMBL6594449

CC(C)CC[C@H](NC(=O)Oc1cc[nH]c1)C(=O)N[C@@H]1C(=O)CO[C@H]1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.33
CTSL P07711 13/20 0.33
CTSS P25774 11/20 0.33
CTSB P07858 1/20 0.31

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
SCHEMBL6594541 0.93 CTSL (0.32) CTSKCTSLCTSS
SCHEMBL6594877 0.90 CTSL (0.43) CTSKCTSLCTSS
SCHEMBL6591380 0.88 CTSK (0.35) CTSKCTSLCTSSCTSB
SCHEMBL6594223 0.87 CTSL (0.45) CTSKCTSLCTSSCTSB
SCHEMBL6590240 0.86 CTSL (0.38) CTSKCTSLCTSSCTSB
SCHEMBL6591140 0.85 UTS2R (0.35) CTSKCTSLCTSS
SCHEMBL6592517 0.85 CTSL (0.40) CTSKCTSLCTSS
SCHEMBL6590302 0.85 CTSK (0.34) CTSKCTSLCTSS
SCHEMBL6590307 0.84 CTSL (0.34) CTSKCTSLCTSSCTSB
SCHEMBL6482930 0.84 CTSK (0.41) CTSKCTSLCTSS

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