Ethyl Acetate

Ethyl Acetate

SCHEMBL26103644

CCOC(C)=O.CN(C)c1ccc(C(=O)O)cc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ ALDH1A1 P00352 9/20 0.49
▸ MAPT P10636 6/20 0.49
▸ RAB9A P51151 6/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HPGD P15428 5/20 0.49
▸ LMNA P02545 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ MAPK1 P28482 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL29048777 0.87 ALDH1A1 (0.63) NPC1MEN1KMT2APOLBALDH1A1
Ether SCHEMBL4335392 0.84 NPC1 (0.61) NPC1MEN1KMT2APOLBALDH1A1
Benzoic Acid SCHEMBL5190239 0.83 ALDH1A1 (0.64) NPC1MEN1KMT2APOLBALDH1A1
4-Methylbenzoic Acid SCHEMBL2363 0.82 ALDH1A1 (0.65) NPC1MEN1KMT2AALDH1A1MAPT
Butane SCHEMBL2586584 0.82 NPC1 (0.67) NPC1MEN1KMT2APOLBALDH1A1
SCHEMBL33368 0.82 NPC1 (0.77) NPC1MEN1KMT2APOLBALDH1A1
Acetic Acid SCHEMBL26103642 0.81 ALDH1A1 (0.65) NPC1MEN1KMT2AALDH1A1MAPT
Benzoic Acid SCHEMBL8413078 0.80 ALDH1A1 (0.56) NPC1MEN1KMT2AALDH1A1MAPT
Benzoic Acid SCHEMBL27330443 0.80 ALDH1A1 (0.56) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL8849509 0.80 NPC1 (0.69) NPC1MEN1KMT2APOLBALDH1A1

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
WO-2023074266-A1 PHOTOSENSITIVE COMPOSITION 東京応化工業株式会社 2023-05-04 — — WO disclosed
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