SCHEMBL17030171

SCHEMBL17030171

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ECE1 P42892 1/20 0.35
ALDH1A1 P00352 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CACNA2D1 P54289 2/20 0.31
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31

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
SCHEMBL17030232 0.86 TDP1 (0.43) TDP1ECE1ALDH1A1SLC1A3SLC1A2
SCHEMBL17072548 0.84 TDP1 (0.40) TDP1ALDH1A1CYP2D6CYP2C19
SCHEMBL17029992 0.80 CYP2D6 (0.34) ECE1SLC1A3SLC1A2SLC1A1CYP2D6
SCHEMBL17030185 0.78 BHMT (0.36) TDP1ECE1ALDH1A1CYP2D6CYP2C19
SCHEMBL30185021 0.74 FOLH1 (0.42) TDP1ITGB3ITGA2B
SCHEMBL17030060 0.74 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL24241859 0.74 GABRR1 (0.41) CYP2D6CYP2C19
SCHEMBL11808826 0.74 GABRR1 (0.41) CYP2D6CYP2C19
SCHEMBL18872073 0.74 GABRR1 (0.41) CYP2D6CYP2C19
SCHEMBL8604903 0.72 TDP1 (0.65) TDP1SLC1A3SLC1A2SLC1A1CACNA2D1

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-2910130-A1 SALTY TASTE-ENHANCING AGENT AND MANUFACTURING METHOD THEREFOR, AND SALTY TASTE-ENHANCING METHOD Nissin Foods Holdings Co., Ltd. (JP) 2015-08-26 EP disclosed