Ethyl Acetate

Ethyl Acetate

SCHEMBL6407899

CCC(Cl)(Cl)Cl.CCOC(C)=O

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
LMNA P02545 1/20 0.70
HSD17B10 Q99714 1/20 0.70
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
TRPA1 O75762 1/20 0.37
GLO1 Q04760 1/20 0.37
PKM P14618 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
Ethyl Acetate SCHEMBL8600617 0.90 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL759825 0.90 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL4591730 0.89
Ethyl Acetate SCHEMBL731989 0.88 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL3469155 0.87 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL16564383 0.87 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL29214530 0.87 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL21877261 0.87 ALDH1A1 (0.82) ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL28093908 0.87 ALDH1A1 (0.82) ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL11874596 0.86 ALDH1A1 (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
EP-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ ALDH1A1 2900/4885LMNA 736/4885HSD17B10 873/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.