SCHEMBL26489588

SCHEMBL26489588

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRIK1 P39086 3/20 0.34
GRIK2 Q13002 1/20 0.34
GRM1 Q13255 1/20 0.34
GRM2 Q14416 1/20 0.34
PTGS1 P23219 1/20 0.30
SLC7A11 Q9UPY5 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
SCHEMBL19398276 0.83 GRIK1 (0.39) GRIK1GRIK2GRM1GRM2PTGS1
SCHEMBL12420355 0.77 ALDH1A1 (0.40) ALDH1A1TDP1GRIK1GRIK2PTGS1
SCHEMBL12674965 0.77
SCHEMBL24046727 0.72
SCHEMBL18513844 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL22361394 0.72 LAP3 (0.33)
SCHEMBL14117404 0.71
SCHEMBL12249985 0.71
SCHEMBL13019133 0.71
SCHEMBL6027700 0.69

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-2023068894-A1 POLYMER COMPOUND FOR SURFACE MODIFICATION TO ENHANCE ANTICANCER IMMUNE FUNCTION OF NATURAL KILLER CELLS 동국대학교 산학협력단 2023-04-27 WO disclosed