Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL28398490

COC(C)=O.O=C(O)c1cccc(F)n1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
ACMSD Q8TDX5 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 1/20 0.51
GRM4 Q14833 3/20 0.48
CLK1 P49759 1/20 0.42
CLK2 P49760 1/20 0.42
CTSA P10619 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.40
ECE1 P42892 1/20 0.40
GNE Q9Y223 1/20 0.39
KMT2A Q03164 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL29723811 0.87 KDM4E (0.70) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL107964 0.87 KDM4E (0.70) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL11682457 0.85 KDM4E (0.67) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29995439 0.80 MAPT (0.58) KDM4ETSHRGRM4CLK1CLK2
SCHEMBL4315950 0.80 MAPT (0.58) KDM4ETSHRGRM4CLK1CLK2
SCHEMBL2632248 0.77 ALDH1A1 (0.47) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29509427 0.74 KDM4E (0.68) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL1500410 0.74 KDM4E (0.68) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL3552924 0.73 KDM4E (0.46) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL9426978 0.73 KDM4E (0.65) KDM4EALOX15TSHRACMSDTDP1

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
CN-111201228-A 6-amino-7, 9-dihydro-8H-purin-8-one derivatives as Toll-like receptor 7(TLR7) agonists 百时美施贵宝公司 2020-05-26 CN disclosed