SCHEMBL4050342

SCHEMBL4050342

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

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.47
CTSL P07711 8/20 0.37
CTSS P25774 7/20 0.37
CTSB P07858 3/20 0.37

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
SCHEMBL4042378 0.95 CTSK (0.48) CTSKCTSLCTSSCTSB
SCHEMBL4052240 0.94 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL4045435 0.91 CTSK (0.48) CTSKCTSLCTSSCTSB
SCHEMBL4046066 0.91 CTSK (0.50) CTSKCTSLCTSSCTSB
SCHEMBL4048070 0.90 CTSK (0.48) CTSKCTSLCTSSCTSB
SCHEMBL4051840 0.90 CTSK (0.48) CTSKCTSLCTSSCTSB
SCHEMBL4048196 0.89 CTSK (0.51) CTSKCTSSCTSB
SCHEMBL4049584 0.89 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL4042998 0.88 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL4047621 0.88 CTSK (0.51) 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