SCHEMBL8728286

SCHEMBL8728286

CN(O)[C@@H](CC(=O)O)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.35
GABRR1 P24046 2/20 0.34
LMNA P02545 1/20 0.34
CACNA2D1 P54289 2/20 0.33
TDP1 Q9NUW8 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
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.31
NOS2 P35228 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
Aspartic Acid SCHEMBL8449756 0.89 SLC7A5 (0.39) NOS2
SCHEMBL17772934 0.84 SLC22A6 (0.36) SLC22A6GABRR1LMNACACNA2D1TDP1
SCHEMBL8728284 0.84 TDP1 (0.31) TDP1
SCHEMBL17772988 0.78 GABRR1 (0.32) SLC22A6GABRR1LMNACACNA2D1TDP1
SCHEMBL22383983 0.78 CACNA2D1 (0.35) SLC22A6GABRR1LMNACACNA2D1TDP1
SCHEMBL19729254 0.76 CACNA2D1 (0.36) SLC22A6GABRR1LMNACACNA2D1TDP1
SCHEMBL11785360 0.72 FDPS (0.36) SLC22A6GABRR1LMNACACNA2D1CACNB3
SCHEMBL27736638 0.70 TDP1 (0.40) SLC22A6GABRR1LMNACACNA2D1TDP1
SCHEMBL27736639 0.70 TDP1 (0.40) SLC22A6GABRR1LMNACACNA2D1TDP1
SCHEMBL8515620 0.70 ALDH1A1 (0.31) ALDH1A1

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-0831066-A1 Biodegradable Aspartic acid polymers for preventing scale formation in boilers NALCO CHEMICAL COMPANY (US) 1998-03-25 EP claimed