SCHEMBL3689440

SCHEMBL3689440

CCCCC(CC(C)(C)C=O)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.58
CA1 P00915 4/20 0.58
MAPK1 P28482 1/20 0.41
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
SLC1A3 P43003 1/20 0.40
CTSK P43235 4/20 0.36
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
SLC15A1 P46059 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
PDF Q9HBH1 1/20 0.33

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
SCHEMBL2369450 0.78 CA2 (0.82) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL19895753 0.78 CA2 (0.62) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL5603663 0.77 GRIK1 (0.51) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL5603383 0.77 GRIK1 (0.51) CA2MAPK1SLC1A2SLC1A1SLC1A3
Hydrochloric Acid SCHEMBL3023637 0.76 CA2 (0.78) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL7638666 0.76 CA2 (0.78) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL8011314 0.76 CA2 (0.64) CA2CA1MAPK1SLC1A2SLC1A1
Formic Acid SCHEMBL29268554 0.76 CA2 (0.84) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL6947583 0.74 CA2 (0.75) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL376915 0.74 CA2 (1.00) CA2CA1MAPK1SLC1A2SLC1A1

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-2010063741-A1 ALDIMINE AND COMPOSITION CONTAINING ALDIMINE SIKA TECHNOLOGY AG (CH) 2010-06-10 WO claimed