Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL28624474

CC(O)Oc1ccccc1.COC(C)=O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.53
MTNR1B P49286 4/20 0.53
TSHR P16473 3/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
Acetic Acid SCHEMBL27465373 0.90 MTNR1A (0.53) MTNR1AMTNR1BTSHRPOLBKMT2A
Benzene SCHEMBL28097669 0.85 LMNA (0.52) MTNR1AMTNR1BTSHRPOLBKMT2A
SCHEMBL167127 0.85 LMNA (0.52) MTNR1AMTNR1BTSHRPOLBKMT2A
SCHEMBL15709 0.85 LMNA (0.52) MTNR1AMTNR1BTSHRPOLBKMT2A
Formaldehyde SCHEMBL1786777 0.84 LMNA (0.47) MTNR1AMTNR1BTSHRPOLBTDP1
Hydrochloric Acid SCHEMBL12613519 0.83 LMNA (0.50) MTNR1AMTNR1BTSHRPOLBKMT2A
Methyl Alcohol SCHEMBL7078021 0.83 LMNA (0.50) MTNR1AMTNR1BTSHRPOLBTDP1
Hydrochloric Acid SCHEMBL11909844 0.83 LMNA (0.50) MTNR1AMTNR1BTSHRPOLBKMT2A
SCHEMBL21803703 0.83 LMNA (0.50) MTNR1AMTNR1BTSHRPOLBKMT2A
SCHEMBL14880143 0.83 LMNA (0.50) MTNR1AMTNR1BTSHRPOLBKMT2A

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-108137508-B 5-HT2CReceptor agonists and compositions and methods of use 艾尼纳制药公司 2021-08-27 CN disclosed