Hexanoate

Hexanoate

SCHEMBL538779

CCCCCC(=O)O.N=C=O.N=C=O

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.76
GPR84 Q9NQS5 7/20 0.73
PPARG P37231 7/20 0.73
PPARD Q03181 7/20 0.73
PPARA Q07869 7/20 0.73
HDAC11 Q96DB2 5/20 0.73
TSHR P16473 4/20 0.73
PTPN1 P18031 3/20 0.73
ALDH1A1 P00352 2/20 0.73
TLR2 O60603 2/20 0.73
TDP1 Q9NUW8 2/20 0.73
FABP4 P15090 2/20 0.73
KMT2A Q03164 2/20 0.73
SLC22A6 Q4U2R8 1/20 0.73
SLC22A8 Q8TCC7 1/20 0.73
MEN1 O00255 1/20 0.73
ESR1 P03372 1/20 0.73
ALOX15 P16050 1/20 0.73
PDE4A P27815 1/20 0.73
PDE3A Q14432 1/20 0.73

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 SCHEMBL27771199 1.00 AKR1B1 (0.76) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL28203664 1.00 AKR1B1 (0.76) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL10951092 0.98 GPR84 (0.77) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL8597807 0.98 AKR1B1 (0.73) AKR1B1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL27496511 0.98 GPR84 (0.77) AKR1B1GPR84PPARGPPARDPPARA
Heptanoate SCHEMBL23150532 0.98 GPR84 (0.77) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL3873225 0.98 AKR1B1 (0.73) AKR1B1GPR84PPARGPPARDPPARA
Heptanoate SCHEMBL187097 0.98 GPR84 (0.77) AKR1B1GPR84PPARGPPARDPPARA
Myristic Acid SCHEMBL27750290 0.98 GPR84 (0.77) AKR1B1GPR84PPARGPPARDPPARA
Tridecanoate SCHEMBL27845736 0.98 GPR84 (0.77) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098282-B2 Fluorosulfone-silicone hydrogel, RGP contact lenses, optical medical devices and compositions thereof NOVICKY NICK 2006-08-29 US claimed
JP-54153900-A None JP disclosed
EP-4308629-A1 POLYOL AND A PROCESS FOR THE PREPARATION THEREOF BASF SE (DE) 2024-01-24 EP disclosed
WO-2022194979-A9 POLYOL AND A PROCESS FOR THE PREPARATION THEREOF BASF SE (DE) 2023-07-20 WO disclosed
CN-107783389-A Toner for developing electrostatic latent image, electrostatic charge image developer, toner Cartridge, handle box, imaging device and imaging method 富士施乐株式会社 2018-03-09 CN disclosed
CN-106919018-A Toner for developing electrostatic latent image, electrostatic charge image developer and toner Cartridge 富士施乐株式会社 2017-07-04 CN disclosed
EP-2416219-A1 TONER BINDER AND TONER COMPOSITION Sanyo Chemical Industries, Ltd. (JP) 2012-02-08 EP disclosed
JP-S54153900-A POLYURETHANE COATING COMPOSITION ASAHI CHEM IND CO LTD 1979-12-04 JP disclosed