Malonic Acid

Malonic Acid

SCHEMBL5547634

CCC(=O)O.CCCC(=O)O.CN(C)CCO.CN(C)CCO.CN(C)CCO.CN(C)CCO.CN(C)CCO.O=C(O)CC(=O)O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
MAPT P10636 1/20 0.44
KDM4C Q9H3R0 15/20 0.39
KDM4A O75164 11/20 0.39
KDM5A P29375 5/20 0.39
KDM7A Q6ZMT4 1/20 0.39
PHF8 Q9UPP1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
DNM1 Q05193 2/20 0.38
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36

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
Butyric Acid SCHEMBL1131411 0.90 FFAR3 (0.59) FFAR3HDAC3HDAC1HDAC2HDAC8
Malonic Acid SCHEMBL4415530 0.84 MAPT (0.63) MAPTKDM4CKDM4AKDM5AKDM7A
Malonic Acid SCHEMBL4413840 0.84 MAPT (0.63) MAPTKDM4CKDM4AKDM5AKDM7A
Dimethylaminoethanol SCHEMBL357728 0.84 MAPT (0.63) FFAR3HDAC3HDAC1HDAC2HDAC8
Trolamine SCHEMBL6393751 0.80 FFAR3 (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8
Succinic Acid SCHEMBL28356804 0.80 MAPT (0.63) MAPTKDM4CKDM4AKDM5AKDM7A
Succinic Acid SCHEMBL1131543 0.80 MAPT (0.63) MAPTKDM4CKDM4AKDM5AKDM7A
Valeric Acid SCHEMBL1131524 0.79 AKR1B1 (0.54) MAPTDNM1
Butyric Acid SCHEMBL3416299 0.78 FFAR3 (0.65) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL181441 0.77 FFAR3 (0.72) FFAR3HDAC3HDAC1HDAC2HDAC8

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-1805131-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2007-07-11 EP disclosed
WO-2005097731-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2005-10-20 WO disclosed