Ethyl Acetate

Ethyl Acetate

SCHEMBL28813951

CCOC(C)=O.O=C(O)Cc1cccc2ccccc12

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.71
▸ KMT2A Q03164 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.51
▸ APOBEC3A P31941 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.51
▸ SIRT5 Q9NXA8 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CDC25B P30305 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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 SCHEMBL8993573 0.86 TDP1 (0.89) TDP1KMT2AKDM4ESIRT5ATM
Acetone SCHEMBL28007682 0.86 TDP1 (0.89) TDP1KMT2AKDM4ESIRT5ATM
Naphthalene SCHEMBL28102503 0.84 TDP1 (0.86) TDP1KMT2AKDM4ESIRT5ATM
Propionic Acid SCHEMBL28091563 0.84 TDP1 (0.86) TDP1KMT2AKDM4ESIRT5ATM
Methoxymethane SCHEMBL18222606 0.84 TDP1 (0.86) TDP1KMT2AKDM4ESIRT5ATM
Alcohol SCHEMBL28463641 0.84 TDP1 (0.86) TDP1KMT2AKDM4ESIRT5ATM
Methyl Alcohol SCHEMBL7855695 0.84 TDP1 (0.92) TDP1KMT2AKDM4ESIRT5ATM
SCHEMBL29607554 0.84 TDP1 (1.00) TDP1KMT2AKDM4EATML3MBTL1
SCHEMBL35925 0.84 TDP1 (1.00) TDP1KMT2AKDM4EATML3MBTL1
SCHEMBL27710793 0.84 TDP1 (1.00) TDP1KMT2AKDM4EATML3MBTL1

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
CN-104010505-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2014-08-27 — — CN claimed
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