SCHEMBL4045362

SCHEMBL4045362

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccoc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.54
CTSS P25774 5/20 0.40
CTSL P07711 6/20 0.36
CTSB P07858 2/20 0.36
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 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
SCHEMBL4043745 0.92 CTSK (0.63) CTSKCTSSCTSLCTSB
SCHEMBL4046048 0.88 CTSK (0.57) CTSKCTSSCTSLCTSB
SCHEMBL4042100 0.88 CTSK (0.59) CTSKCTSSCTSLCTSB
SCHEMBL4049421 0.88 CTSK (0.54) CTSKCTSSCTSLCTSBMEN1
SCHEMBL4042386 0.88 CTSK (0.51) CTSKCTSSCTSLCTSB
SCHEMBL4050196 0.87 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL4044454 0.86 CTSK (0.55) CTSKCTSSCTSLCTSB
SCHEMBL4049584 0.86 CTSK (0.51) CTSKCTSSCTSLCTSB
SCHEMBL4045808 0.86 CTSK (0.54) CTSKCTSSCTSLCTSB
SCHEMBL4047621 0.86 CTSK (0.51) CTSKCTSSCTSLCTSBMEN1

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