Acetic Acid Phenyl Ester

Acetic Acid Phenyl Ester

SCHEMBL9772000

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

nearest known ligand 0.53

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ELANE P08246 3/20 0.53
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 1/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
GAA P10253 3/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
BACE1 P56817 1/20 0.44
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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 Phenyl Ester SCHEMBL27286026 0.87 ALDH1A1 (0.55) LMNAELANEALDH1A1CYP3A4HSD17B10
Anisole SCHEMBL28263420 0.86 LMNA (0.53) LMNAELANEALDH1A1MAPTMEN1
Acetic Acid Phenyl Ester SCHEMBL1865089 0.85 ELANE (0.56) LMNAELANEALDH1A1MAPTHPGD
Acetic Acid Phenyl Ester SCHEMBL7717862 0.85 ALDH1A1 (0.61) LMNAELANEALDH1A1MAPTTHRB
Acetic Acid Propyl Ester SCHEMBL11290042 0.84 THRB (0.54) LMNAALDH1A1MAPTMEN1THRB
Acetic Acid Phenyl Ester SCHEMBL8190438 0.83 ELANE (0.58) LMNAELANEALDH1A1MAPTMEN1
Acetic Acid Phenyl Ester SCHEMBL1870720 0.83 ELANE (0.62) LMNAELANEALDH1A1MAPTMEN1
Acetic Acid Phenyl Ester SCHEMBL35500 0.82 ELANE (0.72) LMNAELANEALDH1A1MAPTMEN1
Acetic Acid Propyl Ester SCHEMBL28263423 0.82 ALDH1A1 (0.61) LMNAALDH1A1HPGDGAATDP1
Acetic Acid Phenyl Ester SCHEMBL6422166 0.82 ELANE (0.72) LMNAELANEALDH1A1MAPTMEN1

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
US-5032523-A Preparation of optically active esters LION CORPORATION (JP) 1991-07-16 US disclosed