SCHEMBL6590445

SCHEMBL6590445

Cc1occc1OC(=O)N[C@@H](CCC(C)C(C)C)C(=O)N[C@@H]1C(=O)CO[C@H]1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.32
CTSS P25774 7/20 0.32
CTSL P07711 5/20 0.32
CTSB P07858 2/20 0.30
POLB P06746 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6586706 0.93 CTSK (0.33) CTSKCTSSCTSLCTSBPOLB
SCHEMBL6589035 0.92 CTSK (0.35) CTSKCTSSCTSLCTSBPOLB
SCHEMBL6592480 0.90 CTSL (0.42) CTSKCTSSCTSL
SCHEMBL6587998 0.86 CTSL (0.34) CTSKCTSSCTSL
SCHEMBL6593240 0.85 CTSK (0.45) CTSKCTSSCTSLCTSB
SCHEMBL6588717 0.85 CTSL (0.33) CTSKCTSSCTSL
SCHEMBL6588604 0.85 CTSK (0.38) CTSKCTSSCTSLCTSB
SCHEMBL6475763 0.84 POLB (0.44) CTSKCTSSCTSLPOLBHSD17B10
SCHEMBL6586665 0.83 CTSL (0.40) CTSKCTSSCTSL
SCHEMBL6586853 0.83 CTSL (0.43) CTSKCTSSCTSL

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