SCHEMBL9766290

SCHEMBL9766290

CC(C)(C)OC(=O)NCCC(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
EPHX1 P07099 1/20 0.42
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
SIGMAR1 Q99720 1/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL7514267 0.97 MEN1 (0.50) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1000860 0.88 MEN1 (0.46) MEN1GAAKMT2ATDP1MAOA
SCHEMBL999017 0.88 MEN1 (0.46) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1486144 0.88 MEN1 (0.46) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8500219 0.88 MEN1 (0.46) MEN1GAAKMT2ATDP1MAOA
Water SCHEMBL6670447 0.86 MEN1 (0.45) MEN1GAAKMT2ATDP1MAOA
SCHEMBL5041833 0.85 MEN1 (0.51) MEN1GAAKMT2ATDP1MAOA
SCHEMBL5840460 0.83 MEN1 (0.46) MEN1GAAKMT2ATDP1MAOA
SCHEMBL6234096 0.83 TDP1 (0.49) MEN1GAAKMT2ATDP1MAOA
SCHEMBL27003866 0.82 MEN1 (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045478-A Vesicles and use thereof in an assay BECTON DICKINSON AND COMPANY (US) 1991-09-03 US disclosed
US-4828982-A Vesticles and use thereof in an enzyme assay BECTON, DICKINSON & COMPANY (US) 1989-05-09 US disclosed
US-4717676-A Vesicles and use thereof in an assay BECTON DICKINSON AND COMPANY (US) 1988-01-05 US disclosed