SCHEMBL11079669

SCHEMBL11079669

CC(=O)OC(CCSCCO)(C(N)=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
KIF11 P52732 7/20 0.34
CYP2D6 P10635 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM3 P20309 2/20 0.34
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.32
KCNN4 O15554 3/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11084158 0.78 ALDH1A1 (0.41) MAPTKMT2AKIF11CYP2D6CHRM2
Piperazine SCHEMBL10994605 0.73 KMT2A (0.39) MAPTKMT2AKIF11CYP2D6CHRM2
SCHEMBL10994601 0.71 ALDH1A1 (0.47) MAPTKMT2ACYP2D6CHRM2CHRM3
SCHEMBL10988392 0.70 CNR1 (0.39) MAPTKMT2AKIF11LMNAHTT
SCHEMBL5617129 0.68 KIF11 (0.44) MAPTKMT2AKIF11CYP2D6CHRM2
SCHEMBL10693506 0.67 MAPT (0.52) MAPTKMT2ACYP2D6CHRM2CHRM3
SCHEMBL28014000 0.66 CYP2C19 (0.46) MAPTKMT2AKIF11CYP2D6KCNH2
SCHEMBL28033810 0.66 MAPT (0.47) MAPTKMT2AKIF11CYP2D6CHRM2
SCHEMBL10989943 0.66 MAPT (0.55) MAPTKMT2ACYP2D6CHRM2CHRM3
SCHEMBL11247 0.65 KMT2A (0.46) MAPTKMT2AKIF11CYP2D6CHRM2

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-0098743-A1 Phenyl alpha-acyloxyacetamide derivates and their therapeutic use Yu, Ruey J., Dr. (US) 1984-01-18 EP disclosed