SCHEMBL4670568

SCHEMBL4670568

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
TDP1 Q9NUW8 2/20 0.50
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
EPHX1 P07099 1/20 0.42
ATM Q13315 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
IDO1 P14902 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.38
KCNA5 P22460 1/20 0.38
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
SCHEMBL1845889 0.91 MEN1 (0.54) MEN1KMT2AGAATDP1CA1
SCHEMBL24224318 0.91 MEN1 (0.54) MEN1KMT2AGAATDP1CA1
SCHEMBL29386133 0.91 MEN1 (0.54) MEN1KMT2AGAATDP1CA1
SCHEMBL1845891 0.91 MEN1 (0.54) MEN1KMT2AGAATDP1CA1
SCHEMBL19611472 0.88 MEN1 (0.59) MEN1KMT2AGAATDP1CA1
SCHEMBL19611471 0.88 MEN1 (0.59) MEN1KMT2AGAATDP1CA1
SCHEMBL2636479 0.86 MEN1 (0.65) MEN1KMT2AGAATDP1CA1
SCHEMBL21056310 0.86 MEN1 (0.65) MEN1KMT2AGAATDP1CA1
SCHEMBL15198752 0.86 MEN1 (0.56) MEN1KMT2AGAATDP1CA1
SCHEMBL570909 0.86 MEN1 (0.65) MEN1KMT2AGAATDP1CA1

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
EP-1193253-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AZETIDINE-2-CARBOXYLIC ACIDS KANEKA CORP (JP) 2008-06-25 EP disclosed