Malonic Acid Diethyl Ester

Malonic Acid Diethyl Ester

SCHEMBL7992219

CCOC(=O)C(C(=O)OCC)c1c(F)cc(OC)cc1F.CCOC(=O)CC(=O)OCC

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
PRKCZ Q05513 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NLRP3 Q96P20 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
SCHEMBL1462180 0.93 CYP3A4 (0.43) SMN1; SMN2GAAALDH1A1KMT2ACYP3A4
Malonic Acid Diethyl Ester SCHEMBL8019960 0.87 GAA (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21332106 0.79 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL5042739 0.79 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL23944802 0.78 MMP8 (0.42) SMN1; SMN2KMT2AMEN1NPC1NLRP3
SCHEMBL1477896 0.78 MAPT (0.39) GAAALDH1A1KMT2AKDM4EMEN1
SCHEMBL24190542 0.78 KMT2A (0.50) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL4477937 0.77 CA12 (0.46) SMN1; SMN2GAAKDM4ECYP3A4HPGD
SCHEMBL5042607 0.77 CYP3A4 (0.40) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL21342461 0.75 TAAR1 (0.42) SMN1; SMN2GAAALDH1A1KMT2AKDM4E

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-6284762-B1 AGRICULTURE AMERICAN CYANAMID COMPANY 2001-09-04 US disclosed