SCHEMBL2556067

SCHEMBL2556067

CC(C)COC(=O)NCc1ccccc1.CCC(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HDAC1 Q13547 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
BCHE P06276 1/20 0.47
LMNA P02545 1/20 0.47
PPID Q08752 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CACNA1C Q13936 1/20 0.45
SCN9A Q15858 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL6237639 0.90 ALDH1A1 (0.57) MAPTL3MBTL1HDAC1ALDH1A1MEN1
SCHEMBL28018053 0.80 MAPT (0.54) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL27705377 0.79 MAPT (0.52) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3710489 0.77 HDAC1 (0.49) MAPTHDAC1ALDH1A1MEN1KMT2A
SCHEMBL2303306 0.76 CA12 (0.70) MAPTL3MBTL1KMT2ACA12CA1
SCHEMBL2303305 0.76 CA12 (0.70) MAPTL3MBTL1KMT2ACA12CA1
Benzene SCHEMBL8878788 0.76 PPID (0.64) MAPTHDAC1ALDH1A1MEN1KMT2A
SCHEMBL423344 0.76 PPID (0.64) MAPTHDAC1ALDH1A1MEN1KMT2A
SCHEMBL22214985 0.76 MEP1B (0.54) HDAC1
SCHEMBL17863560 0.76 MAPT (0.50) MAPTL3MBTL1ALDH1A1MEN1KMT2A

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-2011130615-A2 PREPARATION OF LACOSAMIDE DR. REDDY'S LABORATORIES LTD. (IN) 2011-10-20 WO disclosed