Ethyl Acetate

Ethyl Acetate

SCHEMBL4395004

CC(O)COc1ccccc1.CCOC(C)=O

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.69
▸ MTNR1A P48039 3/20 0.53
▸ MTNR1B P49286 3/20 0.53
▸ MAPT P10636 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ADRB2 P07550 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ ADRB3 P13945 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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 SCHEMBL3252060 0.87 LMNA (0.85) LMNAMTNR1AMTNR1BMAPTL3MBTL1
SCHEMBL50453 0.83 LMNA (1.00) LMNAMTNR1AMTNR1BL3MBTL1ADRB2
SCHEMBL3254859 0.83 LMNA (1.00) LMNAMTNR1AMTNR1BL3MBTL1ADRB2
SCHEMBL2943775 0.83 LMNA (1.00) LMNAMTNR1AMTNR1BL3MBTL1ADRB2
SCHEMBL1618880 0.83 LMNA (1.00) LMNAMTNR1AMTNR1BL3MBTL1ADRB2
Alcohol SCHEMBL5067801 0.81 LMNA (0.88) LMNAMTNR1AMTNR1BL3MBTL1ADRB2
SCHEMBL12970959 0.80 LMNA (0.79) LMNAMTNR1AMTNR1BL3MBTL1ADRB2
SCHEMBL28932506 0.80 LMNA (0.54) LMNAMTNR1AMTNR1BALDH1A1
Methoxymethane SCHEMBL9729148 0.79 LMNA (0.92) LMNAMTNR1AMTNR1BL3MBTL1ADRB2
SCHEMBL10654885 0.79 TDP1 (0.58) LMNAMTNR1AMTNR1BMAPTTDP1

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
EP-1257246-B2 PERSONAL CARE ARTICLES COMPRISING BATTING PROCTER & GAMBLE (US) 2009-12-09 — — EP disclosed
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