SCHEMBL4047188

SCHEMBL4047188

CC(C)(C)CC(NC(=O)Oc1ccsc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.36

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
SCHEMBL4045941 0.93 CTSK (0.33) CTSK
SCHEMBL4047132 0.89 CTSS (0.39) CTSK
SCHEMBL4045409 0.89 CTSK (0.35) CTSK
SCHEMBL4046220 0.88 CTSK (0.36) CTSK
SCHEMBL4042603 0.86 CTSK (0.35) CTSK
SCHEMBL4051200 0.84 CTSK (0.44) CTSK
SCHEMBL4046102 0.82 KCNQ1 (0.38) CTSK
SCHEMBL4041133 0.82 CTSK (0.36) CTSK
SCHEMBL4037824 0.82 CTSK (0.36) CTSK
SCHEMBL4044424 0.82 CTSK (0.34) 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