SCHEMBL4038978

SCHEMBL4038978

COc1ccc2oc(OC(=O)NC(Cc3cccs3)C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)C(=O)c3ccccn3)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.34
HPGD P15428 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
CTSK P43235 9/20 0.32
CTSL P07711 9/20 0.32
CTSS P25774 5/20 0.32
CTSB P07858 3/20 0.32
CTSV O60911 2/20 0.32
HTRA1 Q92743 2/20 0.31
BMP1 P13497 1/20 0.31
F2 P00734 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
SCHEMBL4049501 0.91 CTSK (0.40) HPGDTRPM8CTSKCTSLCTSS
SCHEMBL4046667 0.91 CTSK (0.37) HPGDCTSKCTSLCTSSCTSB
SCHEMBL4043865 0.90 CTSK (0.36) USP30HPGDTRPM8CTSKCTSL
SCHEMBL4046525 0.90 TAS1R3 (0.34) HPGDCTSKCTSLCTSSCTSB
SCHEMBL4050896 0.90 HPGD (0.34) HPGDCTSKCTSLCTSSCTSB
SCHEMBL4051635 0.90 HPGD (0.37) USP30HPGDTRPM8CTSKCTSL
SCHEMBL4045350 0.89 CHRNB2 (0.34) USP30HPGDTRPM8CTSK
SCHEMBL4043432 0.86 KCNQ1 (0.38) USP30HPGDTRPM8
SCHEMBL4046322 0.85 CHRNB2 (0.38) USP30HPGDTRPM8CTSKCTSS
SCHEMBL4043593 0.84 USP2 (0.33) USP30TRPM8CTSKBMP1

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