Ethyl Acetate

Ethyl Acetate

SCHEMBL11262607

CC(O)C1C(=O)N2C(C(=O)O)=C([S+]([O-])c3ccccc3)CC12.CCOC(C)=O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
SLC29A1 Q99808 1/20 0.38
ELANE P08246 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
PTGS1 P23219 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL11107828 0.90 KDM4E (0.43) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11590192 0.90 KDM4E (0.43) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11115355 0.82 ELANE (0.50) ELANE
SCHEMBL11109337 0.82 ELANE (0.50) ELANE
SCHEMBL8038866 0.76 KDM4E (0.32) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11128916 0.75 ELANE (0.41) LMNAELANETSHR
SCHEMBL9848082 0.70 KDM4E (0.46) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9597108 0.70 KDM4E (0.46) KDM4ELMNAESR1CHRM1SLC6A4
Ethyl Acetate SCHEMBL11279297 0.70 ELANE (0.36) ELANE
SCHEMBL9598370 0.69 KDM4E (0.47) KDM4ELMNAESR1CHRM1SLC6A4

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
US-4347181-A Intermediates for producing bicyclic β-lactam-antibiotics BEECHAM GROUP LIMITED (GB) 1982-08-31 US disclosed
US-4289696-A BETA-LACTAMASE INHIBITORY AGENTS WHICH ENHANCE ACTIVITY OF A PENICICILLIN OR CEPHALOSPORIN BEECHAM GROUP LIMITED (GB) 1981-09-15 US disclosed
US-4223038-A THIENAMYCINS BEECHAM GROUP LIMITED (GB) 1980-09-16 US disclosed