Acetic Acid Phenyl Ester

Acetic Acid Phenyl Ester

SCHEMBL1865089

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

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.56
ALDH1A1 P00352 4/20 0.54
LMNA P02545 3/20 0.54
HSD17B10 Q99714 2/20 0.54
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
HSP90AA1 P07900 1/20 0.53
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
CRHBP P24387 1/20 0.46
RAB9A P51151 1/20 0.46
CRHR2 Q13324 1/20 0.46
BACE1 P56817 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
Ethyl Acetate SCHEMBL27658079 0.89 ALDH1A1 (0.50) ELANEALDH1A1LMNAHSD17B10MAPT
Ethyl Acetate SCHEMBL28443649 0.87 MAPT (0.49) ELANEALDH1A1LMNAHSD17B10MAPT
Diphenylether SCHEMBL27707177 0.86 NPC1 (0.60) ALDH1A1LMNAHSD17B10MAPTKMT2A
Acetic Acid Phenyl Ester SCHEMBL1830444 0.86 ELANE (0.58) ELANEALDH1A1LMNAHSD17B10MAPT
Ethyl Benzoate SCHEMBL14931241 0.86 ELANE (0.59) ELANEALDH1A1LMNAMAPTGAA
Acetic Acid Phenyl Ester SCHEMBL1870720 0.86 ELANE (0.62) ELANEALDH1A1LMNAHSD17B10MAPT
Acetic Acid Phenyl Ester SCHEMBL6422166 0.85 ELANE (0.72) ELANEALDH1A1LMNAHSD17B10MAPT
Acetic Acid Phenyl Ester SCHEMBL35500 0.85 ELANE (0.72) ELANEALDH1A1LMNAHSD17B10MAPT
Acetic Acid Phenyl Ester SCHEMBL9772000 0.85 LMNA (0.53) ELANEALDH1A1LMNAHSD17B10MAPT
Anisole SCHEMBL2277975 0.85 ALDH1A1 (0.54) ALDH1A1LMNAHSD17B10MAPTHSP90AA1

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-2496682-A1 DELIVERY PARTICLE The Procter & Gamble Company (US) 2012-09-12 EP disclosed
WO-2011056935-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed