SCHEMBL4052113

SCHEMBL4052113

CC(C)CC(NC(=O)Oc1ccoc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.41
CTSL P07711 7/20 0.35
CTSS P25774 5/20 0.35
CTSB P07858 2/20 0.35
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 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
SCHEMBL4046220 0.92 CTSK (0.36) CTSKCTSLCTSS
SCHEMBL4044073 0.92 CTSK (0.33) CTSK
SCHEMBL4043552 0.90 CTSS (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4047763 0.89 CTSK (0.44) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4047629 0.89 CTSK (0.40) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4044439 0.88 CTSK (0.41) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4046098 0.86 CTSK (0.39) CTSKCTSLCTSSCTSB
SCHEMBL4049409 0.86 CTSK (0.42) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4043679 0.84 CTSK (0.46) CTSKCTSLCTSSCTSB
SCHEMBL4041781 0.84 CTSK (0.39) 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