SCHEMBL4051326

SCHEMBL4051326

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2C(=O)C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.49
CTSL P07711 8/20 0.39
CTSS P25774 7/20 0.39
CTSB P07858 3/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL4051385 0.99 CTSK (0.49) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4042442 0.93 CTSK (0.49) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4043513 0.90 CTSK (0.47) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4043033 0.90 CTSK (0.48) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4049584 0.90 CTSK (0.51) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4046545 0.89 CTSK (0.47) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4042239 0.89 CTSK (0.49) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4043745 0.89 CTSK (0.63) CTSKCTSLCTSSCTSB
SCHEMBL4047621 0.89 CTSK (0.51) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4040232 0.89 CTSK (0.48) CTSKCTSLCTSSCTSBMAPK1

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