SCHEMBL6590929

SCHEMBL6590929

CC(C)(CCc1ccccc1)C[C@H](NC(=O)Oc1ccsc1)C(=O)NC1C(=O)COC1CN1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.46
CTSS P25774 11/20 0.46
CTSL P07711 7/20 0.46
CTSB P07858 4/20 0.33
SCN9A Q15858 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
SCHEMBL6593114 0.93 CTSK (0.47) CTSKCTSSCTSLCTSBSCN9A
SCHEMBL6587778 0.91 CTSL (0.56) CTSKCTSSCTSL
SCHEMBL6588768 0.89 CTSL (0.52) CTSKCTSSCTSL
SCHEMBL6590851 0.89 CTSK (0.48) CTSKCTSSCTSLCTSB
SCHEMBL6588785 0.88 CTSL (0.58) CTSKCTSSCTSL
SCHEMBL6592446 0.88 CTSK (0.37) CTSKCTSSCTSLCTSB
SCHEMBL6476150 0.88 CTSL (0.61) CTSKCTSSCTSL
SCHEMBL6591740 0.88 CTSK (0.36) CTSKCTSSCTSLCTSB
SCHEMBL6594735 0.87 CTSK (0.45) CTSKCTSSCTSLCTSBSCN9A
SCHEMBL6590008 0.87 CTSK (0.46) CTSKCTSSCTSLCTSBSCN9A

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