Ethyl Acetate

Ethyl Acetate

SCHEMBL28156342

CCOC(C)=O.O=Cc1cc(CCl)ccc1O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.48
ERN1 O75460 8/20 0.42
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EGFR P00533 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
NT5E P21589 1/20 0.37
TTR P02766 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL29942484 0.83 CDK1 (0.65) CDK1ERN1NT5E
SCHEMBL918099 0.83 CDK1 (0.65) CDK1ERN1NT5E
SCHEMBL14677394 0.78 CDK1 (0.51) CDK1ERN1ALDH1A1EGFRCA12
SCHEMBL1316310 0.78 CDK1 (0.59) CDK1ERN1
Dioxane SCHEMBL27968283 0.75 CDK1 (0.54) CDK1ERN1NT5E
SCHEMBL305074 0.73 CDK1 (0.65) CDK1ERN1ALDH1A1HSD17B10NT5E
SCHEMBL6534778 0.73 TACR1 (0.48) CDK1ERN1EGFRCA2
Tetrahydrofuran SCHEMBL27957325 0.72 CDK1 (0.51) CDK1ERN1NT5E
SCHEMBL1093483 0.72 CA12 (0.68) ERN1ALDH1A1LMNACA12CA1
SCHEMBL29953951 0.71 CDK1 (0.71) CDK1ERN1NT5E

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
CN-106866438-B A kind of acrylate functional monomer and preparation method thereof 淮海工学院 2018-05-11 CN disclosed
CN-106866438-A A kind of acrylate functional monomer and preparation method thereof 淮海工学院 2017-06-20 CN disclosed