Ethyl Acetate

Ethyl Acetate

SCHEMBL11299570

CCOC(C)=O.O=C(c1ccccc1)c1ccc(S)cc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.53
▸ ALDH1A1 P00352 8/20 0.46
▸ HPGD P15428 3/20 0.46
▸ LMNA P02545 3/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SRD5A2 P31213 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ GAA P10253 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
Benzophenone SCHEMBL8217631 0.90 ELANE (0.58) ELANEALDH1A1HPGDLMNAHSD17B10
Ethyl Benzoate SCHEMBL11301116 0.87 SMN1; SMN2 (0.57) ELANEALDH1A1HPGDLMNAMAPK1
Benzophenone SCHEMBL27605642 0.86 ELANE (0.55) ELANEALDH1A1HPGDLMNAHSD17B10
SCHEMBL11306462 0.85 ELANE (0.51) ELANEALDH1A1HPGDLMNAL3MBTL1
Alcohol SCHEMBL11267582 0.83 ALDH1A1 (0.56) ELANEALDH1A1HPGDLMNAL3MBTL1
Acrylic Acid Ethyl Ester SCHEMBL11303956 0.82 PTGS2 (0.47) ELANEALDH1A1HPGDLMNAL3MBTL1
Ethylamine SCHEMBL11299428 0.81 ALDH1A1 (0.54) ELANEALDH1A1HPGDLMNAL3MBTL1
SCHEMBL1127547 0.80 ALDH1A1 (0.70) ELANEALDH1A1HPGDLMNAHSD17B10
Toluene SCHEMBL22497424 0.79 ALDH1A1 (0.58) ELANEALDH1A1HPGDLMNAL3MBTL1
Benzoic Acid SCHEMBL8413078 0.79 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10SRD5A2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005530-B1 NEW MERCAPTOPHENYLKETONES AND THEIR USE AS INITIATORS FOR THE PHOTOPOLYMERISATION OF ETHYLENICALLY UNSATURATED COMPOUNDS CIBA-GEIGY AG (CH) 1982-05-12 — — EP disclosed
US-4279721-A Mercaptophenyl ketones as initiators for the photopolymerization of ethylenically unsaturated compounds CIBA-GEIGY CORPORATION (US) 1981-07-21 — — US disclosed
EP-0005530-A1 New mercaptophenylketones and their use as initiators for the photopolymerisation of ethylenically unsaturated compounds CIBA-GEIGY AG (CH) 1979-11-28 — — EP disclosed
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