SCHEMBL4046066

SCHEMBL4046066

COC(CC(C)(C)C)C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)Oc1ccc(-c2ccccc2)s1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.50
CTSS P25774 6/20 0.37
CTSL P07711 7/20 0.36
CTSB P07858 3/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL4052240 0.93 CTSK (0.49) CTSKCTSSCTSLCTSBMAPK1
SCHEMBL4047665 0.91 CTSK (0.51) CTSKCTSSCTSLCTSBMAPK1
SCHEMBL4045644 0.91 CTSK (0.51) CTSKCTSSCTSLCTSBMAPK1
SCHEMBL4042378 0.91 CTSK (0.48) CTSKCTSSCTSLCTSBMAPK1
SCHEMBL4043293 0.91 CTSK (0.51) CTSKCTSSCTSLCTSBMAPK1
SCHEMBL4050342 0.91 CTSK (0.47) CTSKCTSSCTSLCTSB
SCHEMBL4039902 0.89 CTSK (0.54) CTSKCTSSCTSB
SCHEMBL4049584 0.88 CTSK (0.51) CTSKCTSSCTSLCTSBMAPK1
SCHEMBL4048373 0.87 CTSK (0.52) CTSKCTSSCTSLCTSBMAPK1
SCHEMBL4047621 0.87 CTSK (0.51) CTSKCTSSCTSLCTSBMAPK1

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