SCHEMBL4044566

SCHEMBL4044566

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.42
CTSL P07711 6/20 0.35
CTSS P25774 5/20 0.35
CTSB P07858 2/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MMP1 P03956 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL4048017 0.92 CTSK (0.34) CTSKMMP1MMP13
SCHEMBL4043291 0.91 CTSK (0.40) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4045086 0.90 CTSK (0.42) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4041110 0.90 CTSK (0.42) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4046272 0.89 CTSK (0.46) CTSKCTSSCTSB
SCHEMBL4047763 0.89 CTSK (0.44) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4041956 0.88 CTSK (0.46) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4049409 0.88 CTSK (0.42) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4042329 0.88 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4043639 0.86 CTSK (0.49) CTSKCTSLCTSSCTSBMEN1

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