SCHEMBL5025733

SCHEMBL5025733

C#CC(N)=O.CC(C)(C)OC(=O)NCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA12 O43570 4/20 0.38
CA9 Q16790 4/20 0.38
EPHX1 P07099 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
IDO1 P14902 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
SCHEMBL156911 0.87 GAA (0.58) MAOAMAOBMEN1GAAKMT2A
Succinic Acid SCHEMBL29429364 0.85 GAA (0.56) MAOAMAOBMEN1GAAKMT2A
SCHEMBL21834873 0.85 GAA (0.56) MAOAMAOBMEN1GAAKMT2A
SCHEMBL5041833 0.80 MEN1 (0.51) MAOAMAOBMEN1GAAKMT2A
SCHEMBL608970 0.78 MAOA (0.60) MAOAMAOBMEN1GAAKMT2A
Hydrochloric Acid SCHEMBL25170095 0.78 GAA (0.49) MAOAMAOBMEN1GAAKMT2A
SCHEMBL5195107 0.78 GAA (0.49) MEN1GAAKMT2ATDP1CA1
SCHEMBL10149390 0.77 MEN1 (0.51) MAOAMAOBMEN1GAAKMT2A
SCHEMBL238415 0.76 MEN1 (0.64) MAOAMAOBMEN1GAAKMT2A
SCHEMBL5840460 0.76 MEN1 (0.46) MAOAMAOBMEN1GAAKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305808-B1 Templated molecules and methods for using such molecules NUEVOLUTION AS (DK) 2016-03-02 EP disclosed
EP-1905829-B1 Templated molecules and methods for using such molecules NUEVOLUTION AS (DK) 2016-02-17 EP disclosed
EP-1905829-A2 Templated molecules and methods for using such molecules Nuevolution A/S (DK) 2008-04-02 EP disclosed
EP-1402024-B1 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES NUEVOLUTION AS (DK) 2007-08-22 EP disclosed