Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL2478740

CC(=O)C(CO)CCO.COC(C)=O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
KISS1R Q969F8 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
TGFBR1 P36897 1/20 0.31

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
SCHEMBL3958833 0.89
SCHEMBL5000153 0.77 CA1 (0.47) CA1CA2TGFBR1
SCHEMBL4301305 0.77 MGAM (0.39) ALDH1A1KISS1RCA1CA2HDAC7
Acetone SCHEMBL902412 0.76 LMNA (0.35) ALDH1A1KISS1RHDAC7HDAC8HDAC6
1,3-Butanediol SCHEMBL27785709 0.73 ALDH1A1 (0.48) ALDH1A1MGAMGAASIMGAM2
SCHEMBL4237401 0.73 KISS1R (0.38) KISS1RCA1CA2HDAC7HDAC8
Acetic Acid Methyl Ester SCHEMBL2482712 0.72 ALDH1A1 (0.71) ALDH1A1CA2MGAMGAASI
SCHEMBL3042219 0.72
Acetic Acid Methyl Ester SCHEMBL260943 0.72
Acetic Acid Methyl Ester SCHEMBL28156434 0.72 ALDH1A1 (0.71) ALDH1A1CA2MGAMGAASI

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1375521-B1 CELLULOSE ACYLATE AND SOLUTION THEREOF FUJIFILM CORP (JP) 2011-10-12 EP disclosed
EP-1375521-A1 CELLULOSE ACYLATE AND SOLUTION THEREOF FUJI PHOTO FILM CO., LTD. (JP) 2004-01-02 EP disclosed