SCHEMBL6587998

SCHEMBL6587998

Cc1occc1OC(=O)N[C@@H](CCC(C)C(C)C)C(=O)NC1C(=O)COC1CCN(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.34
CTSS P25774 13/20 0.34
CTSK P43235 13/20 0.34
UTS2R Q9UKP6 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
SCHEMBL6586690 0.94 CTSL (0.34) CTSLCTSSCTSKUTS2R
SCHEMBL6594578 0.93 CTSL (0.34) CTSLCTSSCTSKUTS2R
SCHEMBL6592480 0.90 CTSL (0.42) CTSLCTSSCTSK
SCHEMBL6590428 0.87 CTSL (0.47) CTSLCTSSCTSK
SCHEMBL6587635 0.87 CTSL (0.40) CTSLCTSSCTSKUTS2R
SCHEMBL6485523 0.86 POLB (0.39) CTSLCTSSCTSK
SCHEMBL6590445 0.86 CTSK (0.32) CTSLCTSSCTSK
SCHEMBL6591525 0.85 CTSL (0.35) CTSLCTSSCTSKUTS2R
SCHEMBL6588717 0.85 CTSL (0.33) CTSLCTSSCTSK
SCHEMBL6592370 0.85 CTSL (0.41) CTSLCTSSCTSK

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