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Malonic Acid

Malonic Acid

SCHEMBL8982152

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

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ MAPT P10636 1/20 0.54
▸ GAA P10253 1/20 0.53
▸ RAB9A P51151 3/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ IDO1 P14902 2/20 0.51
▸ AKR1C3 P42330 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ HTR2A P28223 1/20 0.48

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
SCHEMBL1554845 0.95 ALDH1A1 (0.55) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL1920214 0.94 ALDH1A1 (0.54) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL1919597 0.94 RAB9A (0.55) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL1555636 0.94 ALDH1A1 (0.59) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL27787118 0.88 GAA (0.60) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL11094410 0.87 ALDH1A1 (0.56) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL9344653 0.86 LMNA (0.57) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL11040897 0.84 RAB9A (0.55) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL8385774 0.84 RAB9A (0.62) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL1919596 0.84 ALDH1A1 (0.54) ALDH1A1MAPTGAARAB9AMAPK1

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
US-5516934-A Process for producing mono-P-nitrobenzyl malonate NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1996-05-14 — — US disclosed