Ethyl Acetate

SCHEMBL5590823

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nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 ADRB3 CALCRL CHRM1 CHRM2 CHRM3 F2R MAOA MAOB MAP2K1 MAP2K2 NTRK1 NTRK2 NTRK3 OPRD1 OPRK1 OPRM1 P2RY12 PKLR SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SLC18A2 SLC6A2 SLC6A3 TLR7 TLR9 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 dacA dacB dacC folA ftsI mrcA mrcB mrdA pol rplA rplB rplC rplD rplE rplF rplI rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmB1 rpmB2 rpmC rpmD rpmE rpmE2 rpmF rpmG rpmG1 rpmG2 rpmH rpmI rpmJ rpmJ2 rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsR1 rpsR2 rpsS rpsT rpsU rpsZ ykgM ykgO

The experimentally established mechanism targets of Ethyl Acetate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	CHRM1 known ✓	P11229	2/20	0.37

▸	CHRM3 known ✓	P20309	2/20	0.37

▸	CHRM2 known ✓	P08172	1/20	0.37

▸	ALDH1A1	P00352	6/20	0.78

▸	LMNA	P02545	1/20	0.78

▸	HSD17B10	Q99714	1/20	0.78

▸	TSHR	P16473	2/20	0.48

▸	ALOX15	P16050	1/20	0.43

▸	MGAM	O43451	1/20	0.43

▸	GAA	P10253	1/20	0.43

▸	SI	P14410	1/20	0.43

▸	MGAM2	Q2M2H8	1/20	0.43

▸	SOAT1	P35610	1/20	0.43

▸	TRPA1	O75762	1/20	0.40

▸	GLO1	Q04760	1/20	0.39

▸	CA12	O43570	2/20	0.38

▸	CA1	P00915	2/20	0.38

▸	CA2	P00918	2/20	0.38

▸	CA9	Q16790	2/20	0.38

▸	CHRM5	P08912	2/20	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.

Compound	similarity	top predicted	shared targets
Ethyl Acetate SCHEMBL10994135	1.00	ALDH1A1 (0.78)	ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL28062099	0.97	ALDH1A1 (0.74)	ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL28062101	0.97	ALDH1A1 (0.74)	ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL7010595	0.97	ALDH1A1 (0.74)	ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL9007287	0.95	ALDH1A1 (0.70)	ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL27313732	0.92	ALDH1A1 (0.74)	ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL11423348	0.90	ALDH1A1 (0.70)	ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL11423347	0.90	ALDH1A1 (0.70)	ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL28902693	0.90	ALDH1A1 (0.70)	ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL29260857	0.90	ALDH1A1 (0.70)	ALDH1A1LMNAHSD17B10TSHRALOX15

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20070231654-A1	Process of producing sulfonic group-containing substituted polyacetylene membrane, membrane obtained thereby and application thereof	EBARA CORPORATION (JP)	2007-10-04	—	—	US	disclosed