SCHEMBL4051635

SCHEMBL4051635

COc1ccc2oc(OC(=O)NC(Cc3cccs3)C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)Cc3ccccn3)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.33
CTSK P43235 11/20 0.32
CTSL P07711 11/20 0.32
CTSS P25774 7/20 0.32
CTSB P07858 5/20 0.32
CTSV O60911 2/20 0.32
USP30 Q70CQ3 1/20 0.32
BMP1 P13497 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4049501 0.91 CTSK (0.40) HPGDTRPM8CTSKCTSLCTSS
SCHEMBL4045921 0.91 HPGD (0.38) HPGDGAACTSKCTSLCTSS
SCHEMBL4045043 0.90 HPGD (0.38) HPGDGAACTSKCTSLCTSS
SCHEMBL4048091 0.90 HPGD (0.38) HPGDGAACTSKCTSLCTSS
SCHEMBL4038978 0.90 USP30 (0.34) HPGDTRPM8CTSKCTSLCTSS
SCHEMBL4046322 0.89 CHRNB2 (0.38) HPGDTRPM8CTSKCTSSCTSB
SCHEMBL4043865 0.86 CTSK (0.36) HPGDTRPM8CTSKCTSLCTSS
SCHEMBL4043432 0.86 KCNQ1 (0.38) HPGDGAATRPM8USP30KDM4E
SCHEMBL4045350 0.85 CHRNB2 (0.34) HPGDTRPM8CTSKUSP30ALDH1A1
SCHEMBL4043593 0.84 USP2 (0.33) GAATRPM8CTSKUSP30BMP1

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