SCHEMBL11096035

SCHEMBL11096035

O=[N+]([O-])O[C@@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
PDE4A P27815 1/20 0.38
GSR P00390 1/20 0.37
USP2 O75604 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
KDM4E B2RXH2 2/20 0.33
MGAM O43451 2/20 0.33
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL11096084 1.00 LMNA (0.44) LMNAL3MBTL1TDP1PDE4AGSR
SCHEMBL11099297 1.00 LMNA (0.44) LMNAL3MBTL1TDP1PDE4AGSR
SCHEMBL11021827 0.85 LMNA (0.38) LMNAL3MBTL1TDP1PDE4AGSR
SCHEMBL1147572 0.80 GSR (0.45) TDP1GSR
SCHEMBL27436736 0.80 TDP1 (0.48) LMNAL3MBTL1TDP1PDE4AGSR
SCHEMBL27831039 0.80 TDP1 (0.48) LMNAL3MBTL1TDP1PDE4AGSR
SCHEMBL27487804 0.78 TDP1 (0.46) LMNAL3MBTL1TDP1PDE4AGSR
SCHEMBL1460202 0.76 LMNA (0.39) LMNAL3MBTL1TDP1PDE4AGSR
SCHEMBL29085542 0.75 GSR (0.32) LMNAL3MBTL1TDP1GSR
Mannitol SCHEMBL10952803 0.75 LMNA (0.61) LMNAL3MBTL1TDP1PDE4AUSP2

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-0044940-B1 AMINO-DESOXY-1.4;3.6-DIANHYDRO-HEXITE NITRATES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS Dr. Willmar Schwabe GmbH & Co. (DE) 1984-09-19 EP claimed