SCHEMBL407248

SCHEMBL407248

COC(=O)CCCNC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
KDM4E B2RXH2 1/20 0.58
MAPK1 P28482 1/20 0.58
HIF1A Q16665 1/20 0.58
ADRA1A P35348 1/20 0.52
EPHX2 P34913 3/20 0.50
PAOX Q6QHF9 3/20 0.48
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.45

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
SCHEMBL14507335 0.93 KDM4E (0.62) TSHRKDM4EMAPK1HIF1AADRA1A
SCHEMBL130413 0.91 KDM4E (0.67) TSHRKDM4EMAPK1HIF1AADRA1A
SCHEMBL15146914 0.86 TSHR (0.50) TSHRKDM4EMAPK1HIF1AADRA1A
SCHEMBL3407201 0.86 TSHR (0.57) TSHRKDM4EMAPK1HIF1AADRA1A
SCHEMBL14073945 0.85 KDM4E (0.57) TSHRKDM4EMAPK1HIF1AADRA1A
SCHEMBL860790 0.84 KDM4E (0.56) TSHRKDM4EMAPK1HIF1AADRA1A
SCHEMBL21538522 0.82 TSHR (0.61) TSHREPHX2ALDH1A1SMN1; SMN2LMNA
SCHEMBL50331 0.81 CYP1A2 (0.53) KDM4EMAPK1HIF1AADRA1AEPHX2
SCHEMBL861294 0.81 KDM4E (0.52) TSHRKDM4EMAPK1HIF1AADRA1A
SCHEMBL7670643 0.80 TSHR (0.58) TSHREPHX2ALDH1A1SMN1; SMN2LMNA

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
US-12138238-B2 Compositions comprising N-Acetyl Methyl GABA and related methods MBI Distributing (US) 2024-11-12 US disclosed
US-12138237-B2 Compositions comprising N-Acetyl Methyl GABA and related methods MBI Distributing (US) 2024-11-12 US disclosed
US-12138236-B2 Compositions comprising N-Acetyl Methyl GABA and related methods MBI Distributing (US) 2024-11-12 US disclosed
CN-114085179-B Preparation method of N-acetyl-5-methoxy tryptamine 福建科宏生物工程股份有限公司 2024-05-03 CN disclosed
US-11957653-B2 Compositions comprising N-acetyl methyl GABA and related methods MBI Distributing (US) 2024-04-16 US disclosed
US-20240041815-A1 COMPOSITIONS COMPRISING N-ACETYL METHYL GABA AND RELATED METHODS MBI Distributing (US) 2024-02-08 US disclosed
US-20240024272-A1 COMPOSITIONS COMPRISING N-ACETYL METHYL GABA AND RELATED METHODS MBI Distributing (US) 2024-01-25 US disclosed
US-20230364048-A1 COMPOSITIONS COMPRISING N-ACETYL METHYL GABA AND RELATED METHODS MBI Distributing (US) 2023-11-16 US disclosed
WO-2022087317-A1 THIOHYDROXYPYRIDINE CHELATES LUMIPHORE, INC. (US) 2022-04-28 WO disclosed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
CN-1597114-A Chiral organic, inorganic polymer assembled catalyst, synthesis method and use SHANGHAI INST ORGANIC CHEM (CN) 2005-03-23 CN disclosed
US-6355640-B1 TREATMENT OF HYPERTENSION, UROGENITAL DISORDERS AND FORMED BY WITTIG REACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
US-5773530-A USEFUL AS PSYCHOSTIMULANTS, ANTIHYPERTENSIVE AGENTS AND REMEDIES FOR RENAL FAILURE, DIURETICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
EP-0737193-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-16 EP disclosed
WO-1995018128-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-06 WO disclosed
EP-0035228-B1 TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 EP disclosed
US-4372953-A Tetrazole derivatives, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1983-02-08 US disclosed
EP-0035228-A1 Tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 EP disclosed