SCHEMBL9344653

SCHEMBL9344653

CCOC(=O)CC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPT P10636 1/20 0.56
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.51
HTT P42858 1/20 0.50
IDO1 P14902 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR2A P28223 1/20 0.50

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
SCHEMBL1555636 0.92 ALDH1A1 (0.59) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL27787118 0.89 GAA (0.60) ALDH1A1MAPTGAAL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL9303102 0.88 ALDH1A1 (0.51) LMNAALDH1A1MAPTGAAL3MBTL1
SCHEMBL9518912 0.87 ALDH1A1 (0.55) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL5765803 0.86 ALDH1A1 (0.57) ALDH1A1MAPTGAAL3MBTL1MAPK1
Malonic Acid SCHEMBL8982152 0.86 ALDH1A1 (0.54) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL6141237 0.86 ALDH1A1 (0.56) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL11094410 0.86 ALDH1A1 (0.56) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL21652695 0.85 MGAM (0.62) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL7903564 0.85 ALDH1A1 (0.51) LMNAALDH1A1MAPTGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN disclosed
CN-101784520-A Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-07-21 CN disclosed
EP-0394957-B1 Crystalline form of magnesium salt of mono-p-nitrobenzyl malonate and process for producing the same NIPPON KAYAKU KK (JP) 1994-07-06 EP disclosed
US-5087734-A CRYSTAL MODIFICATION OF MAGNESIUM SALT OF MONO-P-NITROBENZYL MALONATE AND PROCESS FOR PRODUCING THE SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-02-11 US disclosed
EP-0394957-A2 Crystalline form of magnesium salt of mono-p-nitrobenzyl malonate and process for producing the same Nippon Kayaku Kabushiki Kaisha (JP) 1990-10-31 EP disclosed