SCHEMBL4040755

SCHEMBL4040755

CC(C)(C)CC(NC(=O)Oc1ccoc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.35
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL4048544 0.93 P2RY12 (0.32) CTSK
SCHEMBL4047629 0.92 CTSK (0.40) CTSKCTSLCTSS
SCHEMBL4042622 0.89 CTSS (0.40) CTSKCTSLCTSS
SCHEMBL4046220 0.89 CTSK (0.36) CTSKCTSLCTSS
SCHEMBL4040745 0.88 HSD17B10 (0.36) CTSKCTSLCTSS
SCHEMBL4045409 0.87 CTSK (0.35) CTSK
SCHEMBL4047540 0.84 CTSK (0.47) CTSKCTSLCTSS
SCHEMBL4046591 0.82 CTSK (0.35) CTSK
SCHEMBL4044695 0.82 CTSK (0.36) CTSK
SCHEMBL4044073 0.82 CTSK (0.33) 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