SCHEMBL4046569

SCHEMBL4046569

CC(C)(C)CC(NC(=O)Oc1csc2ccccc12)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.35
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
ELANE P08246 1/20 0.30

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
SCHEMBL4044148 0.91 CTSK (0.42) CTSKCTSLCTSS
SCHEMBL4049892 0.90 CTSS (0.37) CTSKCTSLCTSS
SCHEMBL4051458 0.89 CTSK (0.36) CTSKELANE
SCHEMBL4041626 0.89 CTSK (0.34) CTSKCTSLCTSSELANE
SCHEMBL4044151 0.88 CTSK (0.43) CTSKCTSLCTSSELANE
SCHEMBL4037824 0.86 CTSK (0.36) CTSKCTSLCTSSELANE
SCHEMBL4052140 0.85 HSD17B10 (0.36) CTSK
SCHEMBL4043853 0.84 CTSK (0.37) CTSKCTSLCTSSELANE
SCHEMBL4045645 0.84 SMYD3 (0.34) CTSKCTSLCTSS
SCHEMBL4046591 0.83 CTSK (0.35) 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