SCHEMBL20861920

SCHEMBL20861920

C/C=C(\C(C)C)C(CN)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 4/20 0.38
GRIK1 P39086 3/20 0.34
GRIA2 P42262 2/20 0.34
GRIA4 P48058 2/20 0.34
GRIK3 Q13003 2/20 0.34
GRIK5 Q16478 2/20 0.34
GRIK2 Q13002 2/20 0.34
GRIA1 P42261 1/20 0.34
CACNA2D1 P54289 2/20 0.33
SLC7A5 Q01650 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
TP53 P04637 1/20 0.32
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
SCHEMBL2593184 0.71
SCHEMBL19225150 0.70 ALDH1A1 (0.33)
Succinic Acid SCHEMBL28410016 0.69 LMNA (0.47)
SCHEMBL18696909 0.68 GRIK1 (0.33) GABRR1GRIK1GRIA2GRIA4GRIK3
SCHEMBL5433572 0.67
SCHEMBL11699550 0.67 ALDH1A1 (0.59) GABRR1CACNA2D1SLC7A5CACNB3CACNA1C
SCHEMBL8386197 0.67 GABRR1 (0.41) GABRR1GRIK1GRIA2GRIA4GRIK3
Ethylenediamine SCHEMBL11706753 0.66 GABRR1 (0.57) GABRR1SLC7A5TP53SLC1A3SLC1A2
SCHEMBL21114361 0.66 GABRR1 (0.65) GABRR1CACNA2D1SLC7A5CACNB3CACNA1C
SCHEMBL2191 0.66

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-2917203-B1 METHOD FOR IDENTIFYING MYC INHIBITORS DANA FARBER CANCER INST INC (US) 2019-04-03 EP disclosed