Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL28464007

CCCCC[C@H]1C(=O)CC[C@H]1C(=O)O.COC(C)=O

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTGER2 P43116 6/20 0.43
PTGER4 P35408 2/20 0.43
PTGER3 P43115 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TLR4 O00206 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PRKCA P17252 2/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKD1 Q15139 1/20 0.38
POLB P06746 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
SCHEMBL29232855 0.91 HTT (0.46) HTTTSHRSMN1; SMN2PTGER2PTGER4
SCHEMBL29232854 0.91 HTT (0.46) HTTTSHRSMN1; SMN2PTGER2PTGER4
SCHEMBL5507321 0.90 HTT (0.48) HTTTSHRSMN1; SMN2PTGER2PTGER4
Acetic Acid SCHEMBL31534028 0.86 HTT (0.62) HTTTSHRSMN1; SMN2PTGER2PTGER4
SCHEMBL3112057 0.84 HTT (0.67) HTTTSHRSMN1; SMN2PTGER2PTGER4
SCHEMBL30797361 0.84 HTT (0.67) HTTTSHRSMN1; SMN2PTGER2PTGER4
SCHEMBL29827434 0.84 HTT (0.67) HTTTSHRSMN1; SMN2PTGER2PTGER4
SCHEMBL29232806 0.84 HTT (0.67) HTTTSHRSMN1; SMN2PTGER2PTGER4
SCHEMBL29232810 0.84 HTT (0.67) HTTTSHRSMN1; SMN2PTGER2PTGER4
SCHEMBL114297 0.83 TSHR (0.69) HTTTSHRSMN1; SMN2PTGER2PTGER4

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-111801155-A Method for preparing microcapsules 弗门尼舍有限公司 2020-10-20 CN disclosed