SCHEMBL4041956

SCHEMBL4041956

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.46
CTSL P07711 6/20 0.38
CTSS P25774 5/20 0.38
CTSB P07858 2/20 0.38
KMT2A Q03164 2/20 0.36
MMP1 P03956 2/20 0.35
MMP13 P45452 2/20 0.35
MEN1 O00255 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
SCHEMBL4050222 0.95 CTSK (0.43) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4041110 0.94 CTSK (0.42) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4045086 0.94 CTSK (0.42) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4037989 0.93 CTSK (0.42) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4048045 0.90 CTSK (0.43) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4044566 0.88 CTSK (0.42) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4048075 0.87 CTSK (0.51) CTSKCTSSCTSBKMT2A
SCHEMBL4049584 0.86 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL4045898 0.86 CTSK (0.41) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4043745 0.86 CTSK (0.63) CTSKCTSLCTSSCTSB

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