SCHEMBL4044402

SCHEMBL4044402

COc1ccc2oc(OC(=O)NC(Cc3cccs3)C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)c3ccc[n+]([O-])c3)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
USP2 O75604 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.34
USP30 Q70CQ3 1/20 0.32
BMP1 P13497 5/20 0.32
PKM P14618 1/20 0.32
KCNQ1 P51787 1/20 0.31
F2 P00734 3/20 0.31
PRSS1 P07477 3/20 0.31
KDM4E B2RXH2 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 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
SCHEMBL4043593 0.91 USP2 (0.33) GAAUSP2TRPM8USP30BMP1
SCHEMBL4049248 0.90 CTSV (0.31) GAAKCNQ1F2PRSS1KDM4E
SCHEMBL4042354 0.90 TAS1R3 (0.37) GAATAS1R3TAS1R1ALDH1A1
SCHEMBL4043432 0.90 KCNQ1 (0.38) GAAUSP2TRPM8USP30KCNQ1
SCHEMBL4043383 0.90 TAS1R3 (0.35) GAAKCNQ1F2PRSS1TAS1R3
SCHEMBL4049501 0.87 CTSK (0.40) TRPM8
SCHEMBL4038978 0.84 USP30 (0.34) TRPM8USP30BMP1F2
SCHEMBL4051635 0.84 HPGD (0.37) GAATRPM8USP30BMP1KDM4E
SCHEMBL4045350 0.84 CHRNB2 (0.34) TRPM8USP30ALDH1A1
SCHEMBL4046322 0.84 CHRNB2 (0.38) TRPM8USP30KCNQ1TAS1R3TAS1R1

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