SCHEMBL31574412

SCHEMBL31574412

CC(C)(C)OC(=O)NCCN.NCCNC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CA1 P00915 8/20 0.43
CA2 P00918 8/20 0.43
CA12 O43570 7/20 0.43
CA9 Q16790 7/20 0.43
EPHX1 P07099 1/20 0.43
IDO1 P14902 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38

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
Bicarbonate SCHEMBL4130667 0.92 MEN1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL34362 0.92 TDP1 (0.58) MEN1GAAKMT2ATDP1MAOA
Acetic Acid SCHEMBL8853938 0.91 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
Ammonia Solution, Strong SCHEMBL28173213 0.90 TDP1 (0.56) MEN1GAAKMT2ATDP1MAOA
Hydrochloric Acid SCHEMBL219905 0.90 TDP1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1760969 0.88 MEN1 (0.59) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3020260 0.85 TDP1 (0.70) MEN1GAAKMT2ATDP1MAOA
SCHEMBL6938487 0.85 MEN1 (0.66) MEN1GAAKMT2ATDP1MAOA
SCHEMBL18614971 0.83 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL9531926 0.83 TDP1 (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120201998-A Nanoparticle compositions for drug delivery 三养控股公司 2025-06-24 CN disclosed
CN-120019041-A Lipid with amide functional group and ester functional group and preparation method thereof 三养控股公司 2025-05-16 CN disclosed