Malonic Acid

Malonic Acid

SCHEMBL9760993

Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(CCO)CCO)c1I.Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(CCO)CCO)c1I.O=C(O)CC(=O)O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
MAP2K1 Q02750 3/20 0.32
MAP2K2 P36507 1/20 0.32
PRKCZ Q05513 1/20 0.32
IARS2 Q9NSE4 1/20 0.32
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
CNR2 P34972 1/20 0.30

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
Malonic Acid SCHEMBL9761104 0.90 LMNA (0.51) LMNACYP2C19HIF1AMAP2K1MAP2K2
Malonic Acid SCHEMBL11131957 0.89 LMNA (0.53) LMNACYP2C19HIF1AMAP2K1MAP2K2
Malonic Acid SCHEMBL9527869 0.86 LMNA (0.51) LMNACYP2C19HIF1AMAP2K1MAP2K2
Malonic Acid SCHEMBL9760605 0.85 LMNA (0.48) LMNACYP2C19HIF1AMAP2K1MAP2K2
Malonic Acid SCHEMBL9760918 0.84 LMNA (0.62) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL619959 0.83 LMNA (0.58) LMNACYP2C19HIF1AMAP2K1MAP2K2
Malonic Acid SCHEMBL9761214 0.82 LMNA (0.47) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL8063055 0.81 LMNA (0.53) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL32668972 0.81 LMNA (0.53) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL9513442 0.81 LMNA (0.55) LMNACYP2C19HIF1AMAP2K1MAP2K2

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-5073362-A DICARBOXYLIC ACID-BIS(3,5-DICARBAMOYL-2,4,6-TRIIODOANILIDES) AND X-RAY CONTRAST MEDIA CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1991-12-17 US disclosed