SCHEMBL4048045

SCHEMBL4048045

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)s1)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 11/20 0.43
CTSB P07858 6/20 0.41
CTSV O60911 2/20 0.41
KMT2A Q03164 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
SCHEMBL4042338 0.94 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4051191 0.92 CTSK (0.37) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041956 0.90 CTSK (0.46) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4045898 0.90 CTSK (0.41) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4050222 0.89 CTSK (0.43) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4042035 0.88 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042621 0.88 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043969 0.88 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4037989 0.87 CTSK (0.42) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4039608 0.87 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV

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