Ethylmalonate

Ethylmalonate

SCHEMBL147172

CCC(C(=O)O)C(=O)O.O=C(O)CC(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.53
SRR Q9GZT4 1/20 0.53
FFAR3 O14843 2/20 0.42
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CA2 P00918 1/20 0.37
MAPK1 P28482 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 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
Ethylmalonate SCHEMBL107241 0.87
Ethylmalonate SCHEMBL3157979 0.84 HDAC1 (0.43) FFAR3HDAC1HDAC2TDP1CHRM1
Ethylmalonate SCHEMBL9118935 0.84 HDAC1 (0.43) FFAR3HDAC1HDAC2TDP1CHRM1
Ethylmalonate SCHEMBL27889275 0.84 HDAC1 (0.43) FFAR3HDAC1HDAC2TDP1CHRM1
Ethylmalonate SCHEMBL83437 0.84 HDAC1 (0.43) FFAR3HDAC1HDAC2TDP1CHRM1
Ethylmalonate SCHEMBL108039 0.84 HDAC1 (0.43) FFAR3HDAC1HDAC2TDP1CHRM1
Ethylmalonate SCHEMBL9765245 0.84 HDAC1 (0.43) FFAR3HDAC1HDAC2TDP1CHRM1
Ethylmalonate SCHEMBL108554 0.84 HDAC1 (0.43) FFAR3HDAC1HDAC2TDP1CHRM1
Ethylmalonate SCHEMBL5236397 0.84 HDAC1 (0.43) FFAR3HDAC1HDAC2TDP1CHRM1
Ethylmalonate SCHEMBL29018396 0.84 HDAC1 (0.43) FFAR3HDAC1HDAC2TDP1CHRM1

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-20120059081-A1 RESINS COMPRISING ACRYLATE GROUPS BUSCH STEFAN (DE) 2012-03-08 US disclosed