Hexanoate

Hexanoate

SCHEMBL1836892

CC(N)O.CCCCCC(=O)O

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.73
GPR84 Q9NQS5 7/20 0.70
PPARG P37231 7/20 0.70
PPARD Q03181 7/20 0.70
PPARA Q07869 7/20 0.70
HDAC11 Q96DB2 5/20 0.70
TSHR P16473 4/20 0.70
PTPN1 P18031 3/20 0.70
ALDH1A1 P00352 3/20 0.70
TLR2 O60603 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
FABP4 P15090 2/20 0.70
FFAR1 O14842 2/20 0.70
FFAR4 Q5NUL3 2/20 0.70
KMT2A Q03164 2/20 0.70
ALOX15 P16050 2/20 0.70
HSD17B10 Q99714 2/20 0.70
SLC22A6 Q4U2R8 1/20 0.70
SLC22A8 Q8TCC7 1/20 0.70
MEN1 O00255 1/20 0.70

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
Dodecanoate SCHEMBL1833964 0.98 GPR84 (0.74) AKR1B1GPR84PPARGPPARDPPARA
Nonanoate SCHEMBL1835735 0.98 GPR84 (0.74) AKR1B1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL1833337 0.98 GPR84 (0.74) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL5874483 0.98 GPR84 (0.74) AKR1B1GPR84PPARGPPARDPPARA
Undecanoate SCHEMBL5552202 0.98 GPR84 (0.74) AKR1B1GPR84PPARGPPARDPPARA
Undecanoate SCHEMBL1833641 0.98 GPR84 (0.74) AKR1B1GPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL1832256 0.98 GPR84 (0.74) AKR1B1GPR84PPARGPPARDPPARA
Heptanoate SCHEMBL1832308 0.98 GPR84 (0.74) AKR1B1GPR84PPARGPPARDPPARA
Valeric Acid SCHEMBL1830437 0.93 AKR1B1 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL21145145 0.93 AKR1B1 (0.76) AKR1B1GPR84PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082207-A NADES and method for extracting astaxanthin from haematococcus pluvialis by using NADES 深圳大学 2023-05-09 CN disclosed
US-9328220-B2 Liquids INNOVIA FILMS LIMITED (GB) 2016-05-03 US disclosed
US-8992798-B2 Liquids INNOVIA FILMS LIMITED (GB) 2015-03-31 US disclosed
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 US disclosed
US-20140187684-A1 LIQUIDS INNOVIA FILMS LIMITED (GB) 2014-07-03 US disclosed
US-20110257433-A1 LIQUIDS THE UNIVERSITY OF YORK (GB) 2011-10-20 US disclosed
EP-2322497-A1 Ionic liquids comprising nitrogen containing cations Innovia Films Limited (GB) 2011-05-18 EP disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US disclosed
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed