SCHEMBL12438732

SCHEMBL12438732

C=C(COC)C(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 2/20 0.59
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CACNA1C Q13936 1/20 0.48
SCN9A Q15858 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48

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
SCHEMBL24585199 0.83 TXNRD1 (0.58) TXNRD1ALDH1A1KMT2AMAPTMEN1
SCHEMBL24585189 0.83 KMT2A (0.67) TXNRD1ALDH1A1KMT2AMAPTMEN1
SCHEMBL24323271 0.81 ALDH1A1 (0.56) TXNRD1ALDH1A1KMT2AMAPTMEN1
SCHEMBL11423621 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL24585205 0.80 TXNRD1 (0.70) TXNRD1ALDH1A1KMT2AMAPTMEN1
SCHEMBL5175379 0.80 TXNRD1 (0.54) TXNRD1ALDH1A1KMT2AMAPTMEN1
SCHEMBL5698188 0.80 TXNRD1 (0.54) TXNRD1ALDH1A1KMT2AMAPTMEN1
SCHEMBL6468457 0.80 HPGD (0.47) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL2719871 0.80 KMT2A (0.67) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL20380006 0.79 L3MBTL1 (0.58) TXNRD1ALDH1A1KMT2AMAPTMEN1

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-2011092559-A1 PROCESS FOR THE SYNTHESIS OF LACOSAMIDE ARCHIMICA SRL (IT) 2011-08-04 WO disclosed