SCHEMBL4042518

SCHEMBL4042518

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.50
CTSL P07711 6/20 0.39
CTSS P25774 5/20 0.39
CTSB P07858 2/20 0.39
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4041942 0.95 CTSK (0.49) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4048116 0.95 CTSK (0.48) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4048070 0.94 CTSK (0.48) CTSKCTSLCTSSCTSB
SCHEMBL4043293 0.93 CTSK (0.51) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4053213 0.93 CTSK (0.49) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4049584 0.92 CTSK (0.51) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4048373 0.92 CTSK (0.52) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4047621 0.91 CTSK (0.51) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4044504 0.91 CTSK (0.48) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4042461 0.91 CTSK (0.48) CTSKCTSLCTSSCTSB

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