SCHEMBL4045230

SCHEMBL4045230

CC(C)CC(NC(=O)Oc1ccc2c(c1)OCO2)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.43
CTSL P07711 16/20 0.43
CTSS P25774 12/20 0.43
CTSB P07858 4/20 0.43
CTSV O60911 2/20 0.43
ELOVL6 Q9H5J4 1/20 0.38

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
SCHEMBL4051941 0.93 ELOVL6 (0.38) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4050724 0.90 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045599 0.90 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042621 0.88 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046660 0.87 HTT (0.40) CTSKELOVL6
SCHEMBL4050010 0.87 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043401 0.86 CTSK (0.47) CTSKCTSLCTSSCTSB
SCHEMBL4043679 0.86 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046098 0.85 CTSK (0.39) CTSKCTSLCTSSCTSB
SCHEMBL4047459 0.85 CTSK (0.38) 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