SCHEMBL17029992

SCHEMBL17029992

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
ECE1 P42892 1/20 0.31
MAPT P10636 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
SCHEMBL17030060 0.82 CYP2D6 (0.35) CYP2D6CYP2C19NOS3NOS1NOS2
SCHEMBL17072554 0.82 CYP2D6 (0.35) CYP2D6CYP2C19SLC1A3SLC1A2SLC1A1
SCHEMBL17030164 0.81 NOS3 (0.33) SLC1A3SLC1A2SLC1A1NOS3NOS1
SCHEMBL17030171 0.80 TDP1 (0.39) CYP2D6CYP2C19SLC1A3SLC1A2SLC1A1
SCHEMBL24241859 0.78 GABRR1 (0.41) CYP2D6CYP2C19MAPT
SCHEMBL11808826 0.78 GABRR1 (0.41) CYP2D6CYP2C19MAPT
SCHEMBL18872073 0.78 GABRR1 (0.41) CYP2D6CYP2C19MAPT
SCHEMBL17030232 0.77 TDP1 (0.43) CYP2D6CYP2C19SLC1A3SLC1A2SLC1A1
Acetic Acid SCHEMBL28147877 0.74 CYP2C19 (0.54) CYP2D6CYP2C19MAPT
SCHEMBL17030031 0.72 NOS3 (0.31) NOS3NOS1NOS2

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