Ethyl Acetate

Ethyl Acetate

SCHEMBL11084099

CCNC(=O)c1c(CC)nc2ccccc2c1O.CCOC(C)=O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NMT2 O60551 1/20 0.44
NMT1 P30419 1/20 0.44
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
TOP2A P11388 1/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL11075264 0.80 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15782876 0.77 KDM4E (0.49) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL4992903 0.76 FABP3 (0.52) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
Acetonitrile SCHEMBL11081574 0.74 KDM4E (0.47) KDM4EL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL29860485 0.70 SMN1; SMN2 (0.58) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27659536 0.70 SMN1; SMN2 (0.58) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL538291 0.70 SMN1; SMN2 (0.69) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4471456 0.69 FABP3 (0.55) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL19002791 0.69 ALDH1A1 (0.66) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL15503685 0.69 KDM4E (1.00) KDM4EL3MBTL1ALDH1A1MEN1KMT2A

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
US-4450167-A TRANQUILIZERS; PSYCHOLOGICAL DISORDERS ROUSSEL UCLAF (FR) 1984-05-22 US disclosed