SCHEMBL12436634

SCHEMBL12436634

C=C(C)N[C@H](C)C(=O)NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.59
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 2/20 0.55
MME P08473 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA3 P07451 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CACNA1C Q13936 1/20 0.54
SCN9A Q15858 1/20 0.54
CA9 Q16790 1/20 0.54
CA13 Q8N1Q1 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
ANPEP P15144 2/20 0.52

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
SCHEMBL6814514 0.87 CA12 (0.64) MMP8MAPTL3MBTL1KMT2AMME
SCHEMBL993570 0.87 CA12 (0.64) MMP8MAPTL3MBTL1KMT2AMME
SCHEMBL6813286 0.87 CA12 (0.64) MMP8MAPTL3MBTL1KMT2AMME
SCHEMBL25240460 0.85 MMP8 (0.63) MMP8MAPTL3MBTL1KMT2AMME
SCHEMBL25214759 0.85 MMP8 (0.63) MMP8MAPTL3MBTL1KMT2AMME
SCHEMBL25214750 0.85 MMP8 (0.63) MMP8MAPTL3MBTL1KMT2AMME
SCHEMBL24347010 0.84 MMP8 (0.63) MMP8MAPTL3MBTL1KMT2AMME
SCHEMBL9608532 0.82 CA12 (0.80) MMP8MAPTL3MBTL1KMT2AMME
SCHEMBL24347008 0.81 MMP8 (0.63) MMP8MAPTL3MBTL1KMT2AMME
SCHEMBL21206863 0.80 KMT2A (0.61) MMP8MAPTL3MBTL1KMT2AMME

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-2011095995-A1 A PROCESS FOR THE PREPARATION OF LACOSAMIDE NATCO PHARMA LIMITED (IN) 2011-08-11 WO disclosed