Ethotoin

Ethotoin

SCHEMBL6136639

CCC1(CC)C(=O)NC(=O)N(C)C1=O.CCN1C(=O)NC(c2ccccc2)C1=O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9A

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

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.67
ADORA3 P0DMS8 1/20 0.67
ALDH1A1 P00352 1/20 0.43
TSHR P16473 2/20 0.38
ELANE P08246 3/20 0.38
EP300 Q09472 1/20 0.37
CREBBP Q92793 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP2C19 P33261 1/20 0.36
TRPC5 Q9UL62 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
Ethotoin SCHEMBL34301 0.82 LMNA (1.00) LMNAADORA3ALDH1A1TSHREP300
Ethotoin SCHEMBL34302 0.82 LMNA (1.00) LMNAADORA3ALDH1A1TSHREP300
Metharbital SCHEMBL28086124 0.74 LMNA (0.55) LMNAALDH1A1TSHRELANECYP2C19
Metharbital SCHEMBL78867 0.72 ATM (0.60) LMNAALDH1A1TSHRELANESMN1; SMN2
Phenytoin SCHEMBL4657062 0.72 LMNA (0.68) LMNAADORA3ALDH1A1TSHREP300
SCHEMBL11459127 0.71 LMNA (0.71) LMNAADORA3ALDH1A1TSHREP300
SCHEMBL5148364 0.70 LMNA (0.66) LMNAADORA3ALDH1A1TSHREP300
Mephobarbital SCHEMBL1004749 0.70 LMNA (0.86) LMNATSHRELANECYP2C19TDP1
SCHEMBL11017764 0.69 LMNA (0.73) LMNAADORA3ALDH1A1CYP2C19TDP1
SCHEMBL22265963 0.69 LMNA (0.68) LMNAADORA3ALDH1A1TSHRCYP2C19

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337218-A4 SUBSTITUTED FELBAMATE DERIVED COMPOUNDS UNIV VIRGINIA (US) 2005-08-10 EP disclosed
EP-1337218-A2 SUBSTITUTED FELBAMATE DERIVED COMPOUNDS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-08-27 EP disclosed
EP-1282414-A2 FELBAMATE DERIVED COMPOUNDS University of Virginia Patent Foundation (US) 2003-02-12 EP disclosed
WO-2002056827-A2 SUBSTITUTED FELBAMATE DERIVED COMPOUNDS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2002-07-25 WO disclosed
EP-1156798-A4 FELBAMATE DERIVED COMPOUNDS UNIV VIRGINIA (US) 2002-07-17 EP disclosed
EP-1156798-A1 FELBAMATE DERIVED COMPOUNDS THE UNIVERSITY OF VIRGINIA ALUMNI PATENTS FOUNDATION (US) 2001-11-28 EP disclosed
WO-2001085149-A2 FELBAMATE DERIVED COMPOUNDS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2001-11-15 WO disclosed
WO-2000047202-A1 FELBAMATE DERIVED COMPOUNDS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2000-08-17 WO disclosed