SCHEMBL4047540

SCHEMBL4047540

CC(C)(C)CC(NC(=O)Oc1ccoc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.47
CTSL P07711 18/20 0.47
CTSS P25774 17/20 0.47
CTSV O60911 1/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL4046656 0.93 CTSK (0.40) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4043679 0.92 CTSK (0.46) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4049692 0.90 CTSK (0.37) CTSKCTSLCTSS
SCHEMBL4043853 0.90 CTSK (0.37) CTSKCTSLCTSS
SCHEMBL4047616 0.89 CTSL (0.46) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6232347 0.88 CTSK (0.51) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4051200 0.87 CTSK (0.44) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4040745 0.86 HSD17B10 (0.36) CTSKCTSLCTSS
SCHEMBL4050717 0.85 CTSK (0.44) CTSKCTSLCTSS
SCHEMBL4046220 0.84 CTSK (0.36) CTSKCTSLCTSS

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