SCHEMBL6915542

SCHEMBL6915542

C=C(O)[C@@H](O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.47
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
EPHX1 P07099 1/20 0.40
CTSS P25774 4/20 0.38
CTSK P43235 4/20 0.38
MALT1 Q9UDY8 1/20 0.38
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNA5 P22460 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL21056310 0.86 MEN1 (0.65) MEN1GAAKMT2ATDP1MAOA
SCHEMBL2636479 0.86 MEN1 (0.65) MEN1GAAKMT2ATDP1MAOA
SCHEMBL570909 0.86 MEN1 (0.65) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1764468 0.85 MEN1 (0.63) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4670568 0.83 MEN1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL15198752 0.83 MEN1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL24224318 0.81 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL29386133 0.81 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1845889 0.81 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1845891 0.81 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011044503-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-09 WO disclosed
WO-2011044498-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-09 WO disclosed
WO-2010132760-A9 ANTIBACTERIAL DERIVATIVES OF TOBRAMYCIN ACHAOGEN, INC. (US) 2011-11-03 WO disclosed
WO-2010132765-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-10-13 WO disclosed
WO-2010132768-A9 ANTIBACTERIAL DERIVATIVES OF SISOMICIN ACHAOGEN, INC. (US) 2011-09-15 WO disclosed
WO-2010132839-A9 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2011-09-15 WO disclosed
WO-2010147836-A9 COMBINATION THERAPIES USING ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2011-09-15 WO disclosed
WO-2010132759-A9 ANTIBACTERIAL DERIVATIVES OF DIBEKACIN ACHAOGEN, INC. (US) 2011-09-09 WO disclosed
WO-2010132757-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-08-25 WO disclosed
WO-2011044498-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed
WO-2010147836-A1 COMBINATION THERAPIES USING ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2010-12-23 WO disclosed
WO-2010132839-A2 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132760-A1 ANTIBACTERIAL DERIVATIVES OF TOBRAMYCIN ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132759-A1 ANTIBACTERIAL DERIVATIVES OF DIBEKACIN ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132768-A1 ANTIBACTERIAL DERIVATIVES OF SISOMICIN ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132777-A2 TREATMENT OF URINARY TRACT INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132765-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132757-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010042851-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed
WO-2009067692-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2009-05-28 WO disclosed