SCHEMBL17030232

SCHEMBL17030232

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
ECE1 P42892 1/20 0.35
ITGB3 P05106 5/20 0.32
ITGA2B P08514 5/20 0.32
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
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
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
SCHEMBL17030171 0.86 TDP1 (0.39) TDP1ECE1ITGB3ITGA2BSLC1A3
SCHEMBL17072573 0.84 TDP1 (0.45) TDP1CYP2D6CYP2C19ALDH1A1
SCHEMBL17030060 0.78 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL17030185 0.78 BHMT (0.36) TDP1ECE1ITGB3ITGA2BCYP2D6
SCHEMBL17029992 0.77 CYP2D6 (0.34) ECE1SLC1A3SLC1A2SLC1A1CYP2D6
SCHEMBL17030044 0.75 TDP1 (0.46) TDP1ECE1ITGB3ITGA2BSLC1A3
SCHEMBL30185021 0.74 FOLH1 (0.42) TDP1ITGB3ITGA2B
SCHEMBL24241859 0.74 GABRR1 (0.41) CYP2D6CYP2C19
SCHEMBL11808826 0.74 GABRR1 (0.41) CYP2D6CYP2C19
SCHEMBL18872073 0.74 GABRR1 (0.41) CYP2D6CYP2C19

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