SCHEMBL4043593

SCHEMBL4043593

COc1ccc2oc(OC(=O)NC(Cc3cccs3)C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)c3cccc[n+]3[O-])cc2c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
USP30 Q70CQ3 1/20 0.31
BMP1 P13497 2/20 0.30
TAS1R3 Q7RTX0 2/20 0.30
TAS1R1 Q7RTX1 2/20 0.30
CTSK P43235 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
SCHEMBL4044402 0.91 GAA (0.36) USP2GAATRPM8USP30BMP1
SCHEMBL4042300 0.90 CTSK (0.37) TAS1R3TAS1R1CTSK
SCHEMBL4043929 0.90 CTSV (0.32) TAS1R3TAS1R1CTSK
SCHEMBL4045162 0.90 TAS1R3 (0.34) TAS1R3TAS1R1CTSK
SCHEMBL4049501 0.87 CTSK (0.40) TRPM8CTSK
SCHEMBL4043432 0.85 KCNQ1 (0.38) USP2GAATRPM8USP30
SCHEMBL4038978 0.84 USP30 (0.34) TRPM8USP30BMP1CTSK
SCHEMBL4051635 0.84 HPGD (0.37) GAATRPM8USP30BMP1CTSK
SCHEMBL4045350 0.83 CHRNB2 (0.34) TRPM8USP30CTSK
SCHEMBL4046322 0.83 CHRNB2 (0.38) TRPM8USP30TAS1R3TAS1R1CTSK

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