Ethyl Acetate

Ethyl Acetate

SCHEMBL28611565

CCOC(C)=O.O=CNc1nccs1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.57
ALDH1A1 P00352 4/20 0.57
HTT P42858 3/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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 SCHEMBL8425256 0.83 HTT (0.55) ALDH1A1HTTMAPTLMNARAB9A
SCHEMBL970110 0.79
Bromide SCHEMBL28645412 0.78
SCHEMBL10979799 0.77 ALDH1A1 (0.65) PKMALDH1A1HTTMAPTLMNA
Glyoxylate SCHEMBL8429578 0.77 HTT (0.51) ALDH1A1HTTMAPTLMNARAB9A
Ethyl Acetate SCHEMBL27379149 0.75 ALDH1A1 (0.52) PKMALDH1A1HTTMAPTLMNA
Ethyl Acetate SCHEMBL15874941 0.74 ALDH1A1 (0.70) PKMALDH1A1HTTMAPTLMNA
SCHEMBL8366793 0.74 PKM (0.74) PKMALDH1A1HTTMAPTLMNA
Ethyl Acetate SCHEMBL31668812 0.74 ALDH1A1 (0.49) PKMALDH1A1HTTMAPTLMNA
SCHEMBL19984633 0.73 ALDH1A1 (0.59) PKMALDH1A1HTTMAPTLMNA

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-113235293-A Textile auxiliary using graphene in after-finishing process 广州大久生物科技有限公司 2021-08-10 CN claimed
CN-113235293-A Textile auxiliary using graphene in after-finishing process 广州大久生物科技有限公司 2021-08-10 CN disclosed