Malonic Acid

Malonic Acid

SCHEMBL7764459

CCCCCCCCCCCC(C)N(Cc1cccc(CN(C(C)CCCCCCCCCCC)C(C)CCCCCCCCCCC)c1)C(C)CCCCCCCCCCC.O=C(O)CC(=O)O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MMP2 P08253 9/20 0.40
MMP1 P03956 4/20 0.40
MMP3 P08254 4/20 0.40
EPHX2 P34913 1/20 0.39

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
Succinic Acid SCHEMBL7764866 0.92 S1PR2 (0.41) CNR2MEN1KMT2APPARGPPARA
Acetic Acid SCHEMBL7764388 0.92 CNR2 (0.42) CNR2MEN1KMT2APPARGPPARA
Adipic Acid SCHEMBL7760675 0.91 FFAR4 (0.47) MEN1KMT2APPARGPPARA
Lactic Acid SCHEMBL7768064 0.90 CSNK1E (0.41) CNR2MEN1KMT2APPARGPPARA
Malonic Acid SCHEMBL7765984 0.89 S1PR1 (0.43) CNR2
Cadaverine Tartrate SCHEMBL7764905 0.88 CSNK1E (0.40) CNR2MEN1KMT2APPARGPPARA
Hydrochloric Acid SCHEMBL7766063 0.87 GRIN2D (0.43)
Hydrochloric Acid SCHEMBL7760756 0.87 GRIN2D (0.43)
Hydrochloric Acid SCHEMBL8722907 0.87 GRIN2D (0.43)
Malonic Acid SCHEMBL7763542 0.84 CYSLTR2 (0.44) CNR2MMP2MMP1MMP3

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-0825175-B1 Quaternary ammonium disinfectant NICCA CHEMICAL CO (JP) 2001-06-13 EP disclosed
EP-0825175-A1 Quaternary ammonium disinfectant NICCA CHEMICAL CO., LTD. (JP) 1998-02-25 EP disclosed