SCHEMBL4045839

SCHEMBL4045839

COc1cccc2cc(OC(=O)NC(CC(C)C)C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)c3ccccn3)oc12

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.45
CTSL P07711 17/20 0.45
CTSS P25774 13/20 0.45
CTSB P07858 4/20 0.45
CTSV O60911 2/20 0.45

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
SCHEMBL4048801 0.93 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4049357 0.91 CTSK (0.37) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043661 0.91 ALDH1A1 (0.38) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041849 0.89 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4044616 0.88 CHRNB2 (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041991 0.87 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4040201 0.87 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046540 0.86 CTSK (0.37) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4050961 0.86 CTSK (0.36) CTSK
SCHEMBL4043435 0.85 CTSK (0.38) CTSK

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed