Malonic Acid

Malonic Acid

SCHEMBL6827749

C=CCCCC(C(=O)OCC)C(=O)OCC.O=C(O)CC(=O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.44
L3MBTL1 Q9Y468 5/20 0.43
MAPK1 P28482 3/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 5/20 0.38
ABCC4 O15439 1/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
USP2 O75604 2/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
RECQL P46063 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL2207325 0.92 L3MBTL1 (0.48) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL8342328 0.88 TDP1 (0.44) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL6067595 0.86 L3MBTL1 (0.47) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7074449 0.85 MAPT (0.49) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7224713 0.85 MAPT (0.49) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL9453302 0.85 MAPT (0.49) TDP1L3MBTL1MAPK1MEN1KMT2A
Malonic Acid SCHEMBL6827744 0.81 MAPT (0.41) TDP1MAPK1MAPTABCC4ALDH1A1
SCHEMBL2203256 0.81 L3MBTL1 (0.43) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL27163198 0.79 ALDH1A1 (0.48) MEN1KMT2AMAPTABCC4ALDH1A1
SCHEMBL8342772 0.78 TDP1 (0.39) TDP1L3MBTL1MAPK1MEN1KMT2A

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
WO-2004076425-A1 IMPROVED SYNTHESIS OF MACROCYCLIC TETRAAMIDO COMPOUNDS AND NEW METAL INSERTION PROCESS CARNEGIE MELLON UNIVERSITY (US) 2004-09-10 WO disclosed