Hexanoate

Hexanoate

SCHEMBL385943

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

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hexanoate. 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
ESR1 known ✓ P03372 1/20 0.84
AKR1B1 P15121 1/20 0.89
GPR84 Q9NQS5 7/20 0.84
PPARG P37231 7/20 0.84
PPARD Q03181 7/20 0.84
PPARA Q07869 7/20 0.84
HDAC11 Q96DB2 5/20 0.84
TSHR P16473 4/20 0.84
PTPN1 P18031 3/20 0.84
FABP4 P15090 3/20 0.84
ALDH1A1 P00352 2/20 0.84
TLR2 O60603 2/20 0.84
TDP1 Q9NUW8 2/20 0.84
KMT2A Q03164 2/20 0.84
ALOX15 P16050 2/20 0.84
HSD17B10 Q99714 2/20 0.84
SLC22A6 Q4U2R8 1/20 0.84
SLC22A8 Q8TCC7 1/20 0.84
MEN1 O00255 1/20 0.84
PDE4A P27815 1/20 0.84

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
Hexanoate SCHEMBL755716 1.00 AKR1B1 (0.89) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL1238288 1.00 AKR1B1 (0.89) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL386272 1.00 AKR1B1 (0.89) AKR1B1GPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL386211 0.97 GPR84 (0.90) AKR1B1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL1235050 0.97 GPR84 (0.90) AKR1B1GPR84PPARGPPARDPPARA
Heptanoate SCHEMBL5078565 0.97 GPR84 (0.90) AKR1B1GPR84PPARGPPARDPPARA
Myristic Acid SCHEMBL502433 0.97 GPR84 (0.90) AKR1B1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL5136070 0.97 GPR84 (0.90) AKR1B1GPR84PPARGPPARDPPARA
Heptanoate SCHEMBL385003 0.97 GPR84 (0.90) AKR1B1GPR84PPARGPPARDPPARA
Myristic Acid SCHEMBL6253364 0.97 GPR84 (0.90) 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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3006499-B1 CLARIFYING AGENT COMPOSITION, AND POLYOLEFIN RESIN COMPOSITION CONTAINING SAME ADEKA CORP (JP) 2019-10-09 EP disclosed
US-9701812-B2 Clarifying agent composition, and polyolefin resin composition containing same ADEKA CORPORATION (JP) 2017-07-11 US disclosed
US-20160115295-A1 CLARIFYING AGENT COMPOSITION, AND POLYOLEFIN RESIN COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2016-04-28 US disclosed
EP-3006499-A1 CLARIFYING AGENT COMPOSITION, AND POLYOLEFIN RESIN COMPOSITION CONTAINING SAME Adeka Corporation (JP) 2016-04-13 EP disclosed
US-8470223-B2 Thermoplastic resin film and method for manufacturing the same FUJIFILM CORPORATION (JP) 2013-06-25 US disclosed
US-8247041-B2 Cellulose acylate film FUJIFILM CORPORATION (JP) 2012-08-21 US disclosed
US-8221845-B2 Cellulose resin film and method for producing the same FUJIFILM CORPORATION (JP) 2012-07-17 US disclosed
US-8221896-B2 Cellulose resin film and method for producing the same FUJIFILM CORPORATION (JP) 2012-07-17 US disclosed
US-8197726-B2 Cellulose acylate film and method for producing same FUJIFILM CORPORATION (JP) 2012-06-12 US disclosed
US-8101108-B2 Cellulose acylate resin film and method for producing the same FUJIFILM CORPORATION (JP) 2012-01-24 US disclosed
US-20070054143-A1 Cellulose acylate resin film and method for producing the same FUJI PHOTO FILM CO. LTD. 2007-03-08 US disclosed
WO-2006132402-A1 METHOD FOR PRODUCING CELLULOSE ACYLATE RESIN FILM FUJIFILM CORPORATION (JP) 2006-12-14 WO disclosed
WO-2006132399-A1 METHOD FOR PRODUCING CELLULOSE ACYLATE FILM, AND CELLULOSE ACYLATE FILM USING THE SAME, AND OPTICAL COMPENSATION FILM FOR LIQUID CRYSTAL DISPLAY PLATE FUJIFILM CORPORATION (JP) 2006-12-14 WO disclosed
WO-2006129685-A1 METHOD FOR PRODUCING THERMOPLASTIC FILM FUJIFILM CORPORATION (JP) 2006-12-07 WO disclosed
WO-2006129822-A1 METHOD FOR PRODUCING THERMOPLASTIC FILM AND OPTICAL COMPENSATION FILM FOR LIQUID CRYSTAL DISPLAY PANELS PRODUCED BY USING THE METHOD FUJIFILM CORPORATION (JP) 2006-12-07 WO disclosed
WO-2006129824-A1 METHOD AND APPARATUS FOR PRODUCING CELLULOSE ACYLATE FILM, AND CELLULOSE ACYLATE FILM FUJIFILM CORPORATION (JP) 2006-12-07 WO disclosed
WO-2006129825-A1 METHOD FOR PRODUCING CELLULOSE ACYLATE FILM AND OPTICAL COMPENSATION FILM FOR LIQUID CRYSTAL DISPLAY PLATE PRODUCED BY USING THE METHOD FUJIFILM CORPORATION (JP) 2006-12-07 WO disclosed
WO-2006126717-A1 METHOD FOR PRODUCING THERMOPLASTIC FILM FUJIFILM CORPORATION (JP) 2006-11-30 WO disclosed
US-20060066011-A1 Cellulose acylate film and process for producing the same, and optical film and image display device using the cellulose acylate film FUJI PHOTO FILM CO., LTD. 2006-03-30 US disclosed
WO-2006013869-A1 THERMOPLASTIC FILM AND METHOD OF PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2006-02-09 WO disclosed