SCHEMBL4040797

SCHEMBL4040797

Cc1c(OC(=O)NC(CC2CC2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccc[n+]2[O-])oc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.33
CTSL P07711 2/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4043854 0.93 CTSK (0.39) CTSVCTSLCTSSCTSKL3MBTL1
SCHEMBL4040960 0.92 PREP (0.32) CTSKL3MBTL1
SCHEMBL4040779 0.91 CTSV (0.34) CTSVCTSLCTSSCTSKL3MBTL1
SCHEMBL4045719 0.89 SMN1; SMN2 (0.32) CTSSCTSK
SCHEMBL4046671 0.85 CTSK (0.41) CTSVCTSLCTSSCTSK
SCHEMBL4043622 0.84 CTSK (0.39) CTSVCTSLCTSSCTSKL3MBTL1
SCHEMBL4045411 0.83 PREP (0.33) CTSKL3MBTL1
SCHEMBL4041817 0.82 CTSL (0.33) CTSVCTSLCTSSCTSK
SCHEMBL4047097 0.82 CTSL (0.33) CTSVCTSLCTSSCTSK
SCHEMBL4043929 0.82 CTSV (0.32) CTSVCTSLCTSSCTSK

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