SCHEMBL27798646

SCHEMBL27798646

O=[N+]([O-])C(O)C(O)CO.[PbH2]

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.31
PDE4A P27815 1/20 0.31
TSHR P16473 1/20 0.30
HPGD P15428 1/20 0.30
HIF1A Q16665 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
SCHEMBL62388 0.97
SCHEMBL28118298 0.95 LMNA (0.36) LMNAL3MBTL1TDP1ALDH1A1KDM4E
Alcohol SCHEMBL27769789 0.92 ALDH1A1 (0.37) LMNAL3MBTL1TDP1ALDH1A1KDM4E
Nitric Oxide SCHEMBL5490095 0.92 LMNA (0.35) LMNAL3MBTL1TDP1ALDH1A1KDM4E
Acetic Acid SCHEMBL27494477 0.88 LMNA (0.39) LMNAL3MBTL1TDP1ALDH1A1PDE4A
Tetranitromethane SCHEMBL6361344 0.86 ALDH1A1 (0.43) LMNAL3MBTL1TDP1ALDH1A1TSHR
Glycerin SCHEMBL899186 0.86 LMNA (0.39) LMNAL3MBTL1ALDH1A1
SCHEMBL27490149 0.82 LMNA (0.48) LMNAL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL29435820 0.82 LMNA (0.48) LMNAL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL27604397 0.78 TDP1 (0.55) LMNAL3MBTL1TDP1ALDH1A1KDM4E

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
CN-201676388-U Auxiliary nitroglycerin aerosol administration device JEWIM PHARMACEUTICAL SHANDONG CO LTD 2010-12-22 CN disclosed