SCHEMBL4044148

SCHEMBL4044148

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

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.42
CTSL P07711 18/20 0.42
CTSS P25774 17/20 0.42
CTSB P07858 2/20 0.35
CTSV O60911 1/20 0.35

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
SCHEMBL4046569 0.91 CTSK (0.35) CTSKCTSLCTSS
SCHEMBL4041626 0.90 CTSK (0.34) CTSKCTSLCTSS
SCHEMBL4039394 0.89 CTSL (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4052140 0.88 HSD17B10 (0.36) CTSK
SCHEMBL4044151 0.87 CTSK (0.43) CTSKCTSLCTSS
SCHEMBL4046591 0.86 CTSK (0.35) CTSK
SCHEMBL4051200 0.85 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042603 0.85 CTSK (0.35) CTSK
SCHEMBL4045645 0.85 SMYD3 (0.34) CTSKCTSLCTSSCTSB
SCHEMBL4051458 0.85 CTSK (0.36) 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