SCHEMBL8370816

SCHEMBL8370816

CC(CC(=O)O)C(C)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
BLM P54132 1/20 0.34
HBB P68871 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 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 2/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL12227556 0.81 CPA1 (0.44) CPA1CACNA2D1TDP1CACNB3CACNA1C
SCHEMBL5077944 0.80 SLC22A6 (0.50) SLC22A6LMNACACNA2D1TDP1CACNB3
SCHEMBL304303 0.80 SLC22A6 (0.50) SLC22A6LMNACACNA2D1TDP1CACNB3
SCHEMBL11347861 0.78 TDP1 (0.52) CPA1SLC22A6LMNAMEN1BLM
SCHEMBL8374819 0.77 ALDH1A1 (0.35) CPA1SLC22A6LMNAMEN1BLM
SCHEMBL5002407 0.76
SCHEMBL26543114 0.73 LMNA (0.36) CPA1SLC22A6LMNAMEN1BLM
SCHEMBL26640409 0.72 CYP2D6 (0.41) MAPTCA2
SCHEMBL11342919 0.72 TDP1 (0.35) LMNAMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL25929214 0.72 ALDH1A1 (0.35) CPA1SLC22A6LMNAMEN1BLM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710671-B1 2-Nitroalkyl ethers of native or modified starch, method for the preparation thereof, and ethers derived therefrom AVEBE COOP VERKOOP PROD (NL) 1999-02-10 EP disclosed
EP-0710671-A1 2-Nitroalkyl ethers of native or modified starch, method for the preparation thereof, and ethers derived therefrom Coöperatieve Verkoop- en Productievereniging van Aardappelmeel en Derivaten 'AVEBE' B.A. (NL) 1996-05-08 EP disclosed