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

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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
SCHEMBL29232806 0.84 HTT (0.67) HTTTSHRSMN1; SMN2PTGER2PTGER4
SCHEMBL30797361 0.84 HTT (0.67) HTTTSHRSMN1; SMN2PTGER2PTGER4
SCHEMBL29827434 0.84 HTT (0.67) HTTTSHRSMN1; SMN2PTGER2PTGER4
SCHEMBL3112057 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
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