SCHEMBL21834873

SCHEMBL21834873

CC(C)(C)OC(=O)NCCC(=O)O.[Ag]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
EPHX1 P07099 1/20 0.45
IDO1 P14902 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL156911 0.98 GAA (0.58) GAAMEN1KMT2ATDP1MAOA
Succinic Acid SCHEMBL29429364 0.96 GAA (0.56) GAAMEN1KMT2ATDP1MAOA
SCHEMBL5041833 0.91 MEN1 (0.51) GAAMEN1KMT2ATDP1MAOA
SCHEMBL5195107 0.88 GAA (0.49) GAAMEN1KMT2ATDP1CA1
Hydrochloric Acid SCHEMBL25170095 0.88 GAA (0.49) GAAMEN1KMT2ATDP1MAOA
SCHEMBL10149390 0.87 MEN1 (0.51) GAAMEN1KMT2ATDP1MAOA
SCHEMBL238415 0.86 MEN1 (0.64) GAAMEN1KMT2ATDP1MAOA
SCHEMBL21834875 0.85 TDP1 (0.67) GAAMEN1KMT2ATDP1MAOA
SCHEMBL5840460 0.85 MEN1 (0.46) GAAMEN1KMT2ATDP1MAOA
SCHEMBL5025733 0.85 MAOA (0.47) GAAMEN1KMT2ATDP1MAOA

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
WO-2020067507-A1 PRIMARY AMINE COMPOUND- OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE, AND METHOD FOR PRODUCING SAME 生化学工業株式会社 2020-04-02 WO disclosed