SCHEMBL28375178

SCHEMBL28375178

COC[C@H](C(C)=O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
LDHA P00338 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN9A Q15858 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
SLC1A3 P43003 1/20 0.31

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
SCHEMBL28375180 1.00 ALDH1A1 (0.34) ALDH1A1LDHANOS3NOS1NOS2
SCHEMBL10919488 0.89 ALDH1A1 (0.35) ALDH1A1CA12CA1CA2CA3
SCHEMBL9938027 0.86 ALDH1A1 (0.39) ALDH1A1LDHANOS3NOS1NOS2
SCHEMBL10914196 0.80 SMN1; SMN2 (0.37) ALDH1A1CA12CA1CA2CA3
SCHEMBL441261 0.80 ALDH1A1 (0.37) ALDH1A1LDHANOS3NOS1NOS2
SCHEMBL11735052 0.77 ALDH1A1 (0.42) ALDH1A1MGAMGAASIMGAM2
SCHEMBL30344784 0.77 ALDH1A1 (0.42) ALDH1A1MGAMGAASIMGAM2
Propene SCHEMBL8430740 0.75 TSHR (0.35) ALDH1A1LDHA
SCHEMBL11390212 0.75 ALDH1A1 (0.38) ALDH1A1NOS3NOS1NOS2
SCHEMBL18134953 0.75 ALDH1A1 (0.39) ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110950770-B Synthesis method of lacosamide 珠海润都制药股份有限公司 2023-04-07 CN disclosed
CN-110950770-A Synthesis method of lacosamide 珠海润都制药股份有限公司 2020-04-03 CN disclosed