SCHEMBL4047640

SCHEMBL4047640

CC(C)CC(NC(=O)Oc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.41
CTSL P07711 6/20 0.34
CTSS P25774 4/20 0.34
CTSB P07858 2/20 0.34
HTRA1 Q92743 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL4049345 0.89 CTSK (0.38) CTSKCTSLCTSSCTSBHTRA1
SCHEMBL4049409 0.88 CTSK (0.42) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4049913 0.88 CTSK (0.40) CTSKCTSLCTSSCTSBHTRA1
SCHEMBL4049190 0.87 CTSK (0.40) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4045086 0.87 CTSK (0.42) CTSKCTSLCTSSCTSBHTRA1
SCHEMBL4049257 0.87 CTSK (0.41) CTSKCTSLCTSSCTSBHTRA1
SCHEMBL4045316 0.86 CTSK (0.40) CTSKCTSLCTSSCTSBHTRA1
SCHEMBL4039525 0.85 CTSK (0.42) CTSKCTSLCTSSCTSBHTRA1
SCHEMBL4047629 0.85 CTSK (0.40) CTSKCTSLCTSSCTSBHTRA1
SCHEMBL4037862 0.84 CTSK (0.51) CTSKCTSLCTSSCTSBHTRA1

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