Dectaflur

Dectaflur

SCHEMBL9983504

CCCCCCCC/C=C\CCCCCCCCN.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACVR1ADORA1ADORA2AADORA2BADORA3ESR1ESR2FLT3GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSC1HRH1HTR7IDH1IDH2IRAK1JAK1JAK2JAK3MEN1OPRM1P2RX3PDE5ASCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASIGMAR1SLC6A2SYKTACR1TOP2ATYK2

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 known ✓ P0DMS8 1/20 0.51
SLC6A2 known ✓ P23975 1/20 0.51
FLT3 known ✓ P36888 1/20 0.51
SLC6A5 Q9Y345 2/20 0.54
PPARG P37231 5/20 0.51
PPARD Q03181 5/20 0.51
PPARA Q07869 5/20 0.51
F7 P08709 4/20 0.51
F3 P13726 4/20 0.51
TERT O14746 3/20 0.51
PTPN1 P18031 3/20 0.51
TOP1 P11387 3/20 0.51
HSD17B10 Q99714 3/20 0.51
FABP4 P15090 3/20 0.51
MAPT P10636 2/20 0.51
BLM P54132 2/20 0.51
LMNA P02545 2/20 0.51
ALOX15 P16050 2/20 0.51
DUSP3 P51452 2/20 0.51
CYP19A1 P11511 2/20 0.51

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
Dectaflur SCHEMBL9983505 1.00 SLC6A5 (0.54) SLC6A5PPARGPPARDPPARAF7
Hexadecylamine SCHEMBL7608805 0.91 ALDH1A1 (0.56) PPARGPPARDPPARABLMKMT2A
Citric Acid SCHEMBL18191805 0.91 ALDH1A1 (0.56) PPARGPPARDPPARABLMKMT2A
Citric Acid SCHEMBL22558403 0.91 ALDH1A1 (0.56) PPARGPPARDPPARABLMKMT2A
Dodecylamine SCHEMBL5968344 0.91 ALDH1A1 (0.56) PPARGPPARDPPARABLMKMT2A
Citric Acid SCHEMBL18191804 0.91 ALDH1A1 (0.56) PPARGPPARDPPARABLMKMT2A
Octadecylamine SCHEMBL29068761 0.91 ALDH1A1 (0.56) PPARGPPARDPPARABLMKMT2A
Hexadecylamine SCHEMBL28274451 0.87 ALDH1A1 (0.52) BLMKMT2AALDH1A1TSHR
Oleic Acid SCHEMBL1662962 0.86 PPARG (0.72) PPARGPPARDPPARAF7F3
Oleyl Alcohol SCHEMBL27514393 0.86 PPARG (0.53) PPARGPPARDPPARAF7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3275539-B1 HYDROPROCESSING CATALYSTS AND THEIR PRODUCTION EXXONMOBIL TECHNOLOGY & ENGINEERING COMPANY (US) 2023-04-05 EP disclosed
US-20180264450-A1 HYDROPROCESSING CATALYSTS AND THEIR PRODUCTION EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2018-09-20 US disclosed
EP-2576052-B1 HYDROPROCESSING CATALYSTS AND THEIR PRODUCTION EXXONMOBIL RES & ENG CO (US) 2018-07-18 EP disclosed
US-10022712-B2 Hydroprocessing catalysts and their production EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2018-07-17 US disclosed
EP-2576053-B1 HYDROPROCESSING CATALYSTS AND THEIR PRODUCTION EXXONMOBIL RES & ENG CO (US) 2018-04-25 EP disclosed
EP-3275539-A1 HYDROPROCESSING CATALYSTS AND THEIR PRODUCTION ExxonMobil Research and Engineering Company (US) 2018-01-31 EP disclosed
WO-2015171277-A1 HYDROPROCESSING CATALYSTS AND THEIR PRODUCTION EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2015-11-12 WO disclosed
US-20140374319-A1 HYDROPROCESSING CATALYSTS AND THEIR PRODUCTION EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-12-25 US disclosed
US-8722564-B2 Hydroprocessing catalysts and their production EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-05-13 US disclosed
US-8722563-B2 Hydroprocessing catalysts and their production EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-05-13 US disclosed
EP-2576053-A1 HYDROPROCESSING CATALYSTS AND THEIR PRODUCTION ExxonMobil Research and Engineering Company (US) 2013-04-10 EP disclosed
EP-2576052-A1 HYDROPROCESSING CATALYSTS AND THEIR PRODUCTION ExxonMobil Research and Engineering Company (US) 2013-04-10 EP disclosed
US-20110294656-A1 HYDROPROCESSING CATALYSTS AND THEIR PRODUCTION EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-12-01 US disclosed
US-20110294657-A1 HYDROPROCESSING CATALYSTS AND THEIR PRODUCTION EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-12-01 US disclosed