Malonic Acid

Malonic Acid

SCHEMBL6672041

NC(=O)CCc1cscn1.O=C(O)CC(=O)O

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.39
PKM P14618 1/20 0.38
SLC6A3 Q01959 9/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR142 Q7Z601 3/20 0.35
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 1/20 0.33
CAPN1 P07384 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL2514575 0.92 PKM (0.43) KDM4CPKMSLC6A3KDM4EMAPK1
SCHEMBL4779862 0.83 PKM (0.42) KDM4CPKMSLC6A3KDM4EMAPK1
SCHEMBL907879 0.83 KDM4E (0.44) KDM4CPKMSLC6A3KDM4EMAPK1
SCHEMBL5818912 0.76 SMN1; SMN2 (0.41) KDM4CPKMSLC6A3KDM4EMAPK1
Citric Acid SCHEMBL4779312 0.76 ALDH1A1 (0.40) PKMKDM4E
SCHEMBL9079443 0.74 KDM4C (0.42) KDM4CPKMSLC6A3KDM4EMAPK1
SCHEMBL4888615 0.74 MAPK1 (0.41) KDM4CPKMSLC6A3KDM4EMAPK1
SCHEMBL30223118 0.74 KDM4C (0.47) KDM4CPKMKDM4EMAPK1NPSR1
SCHEMBL7186166 0.73 TBXAS1 (0.45)
Malonic Acid SCHEMBL6672043 0.72 NPSR1 (0.46) KDM4CPKMSLC6A3KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069118-B1 PROCESS FOR PRODUCING 4-THIAZOLYLMETHYL DERIVATIVE SHIONOGI & CO (JP) 2004-09-22 EP disclosed
US-6506903-B1 By reacting 4-methylthiazole with N-halosuccinimide in solvent in presence of 2,2-azobisisobutyronitrile; halogenation, catalysis SHIONOGI & CO., LTD. (JP) 2003-01-14 US disclosed
EP-1069118-A1 PROCESS FOR PRODUCING 4-THIAZOLYLMETHYL DERIVATIVE SHIONOGI & CO., LTD. (JP) 2001-01-17 EP disclosed