SCHEMBL4050222

SCHEMBL4050222

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.43
CTSL P07711 7/20 0.36
CTSS P25774 5/20 0.36
CTSB P07858 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.33
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL4041956 0.95 CTSK (0.46) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4037989 0.92 CTSK (0.42) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4041110 0.90 CTSK (0.42) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4048045 0.89 CTSK (0.43) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4045086 0.89 CTSK (0.42) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4046827 0.88 CTSK (0.48) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4046048 0.87 CTSK (0.57) CTSKCTSLCTSSCTSB
SCHEMBL4044003 0.86 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4045331 0.86 CTSK (0.43) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4045898 0.86 CTSK (0.41) CTSKCTSLCTSSCTSBKMT2A

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