Ethyl Acetate

Ethyl Acetate

SCHEMBL22497797

C=CCOC(=O)C(C)O.CCOC(C)=O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
CYP3A4 P08684 3/20 0.36
MAPT P10636 3/20 0.36
USP2 O75604 2/20 0.36
RECQL P46063 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33
GLO1 Q04760 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32

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
SCHEMBL367625 0.87
SCHEMBL366726 0.87
SCHEMBL35945 0.87
Alcohol SCHEMBL6194629 0.85 TDP1 (0.43) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL6451815 0.85 TDP1 (0.46) ALDH1A1LMNAHSD17B10TDP1TSHR
Ammonia Solution, Strong SCHEMBL1025751 0.85 TDP1 (0.46) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL28153453 0.85 TDP1 (0.46) ALDH1A1LMNAHSD17B10TDP1TSHR
Ethyl Acetate SCHEMBL27578297 0.85 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TDP1TSHR
Ethyl Acetate SCHEMBL20496512 0.82 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10TSHRHPGD
Lactic Acid SCHEMBL27586439 0.81 TP53 (0.46) ALDH1A1LMNAHSD17B10TDP1TSHR

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
EP-3946241-A1 INCREASING THE STABILITY OF AGENTS FOR TREATING KERATIN MATERIAL Henkel AG & Co. KGaA (DE) 2022-02-09 EP claimed
WO-2020200546-A1 INCREASING THE STABILITY OF AGENTS FOR TREATING KERATIN MATERIAL HENKEL AG & CO. KGAA (DE) 2020-10-08 WO claimed