Hexanoate

Hexanoate

SCHEMBL27506239

CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.NC1CCCCC1N

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.61
GPR84 Q9NQS5 7/20 0.59
PPARG P37231 7/20 0.59
PPARD Q03181 7/20 0.59
PPARA Q07869 7/20 0.59
HDAC11 Q96DB2 5/20 0.59
TSHR P16473 4/20 0.59
PTPN1 P18031 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TLR2 O60603 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
FABP4 P15090 2/20 0.59
KMT2A Q03164 2/20 0.59
ALOX15 P16050 2/20 0.59
HSD17B10 Q99714 2/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
SLC22A8 Q8TCC7 1/20 0.59
MEN1 O00255 1/20 0.59
ESR1 P03372 1/20 0.59
PDE4A P27815 1/20 0.59

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
Myristic Acid SCHEMBL29372325 0.95 GPR84 (0.59) AKR1B1GPR84PPARGPPARDPPARA
Myristic Acid SCHEMBL16767554 0.95 GPR84 (0.59) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL28248768 0.93 GPR84 (0.57) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL28397828 0.92 GPR84 (0.55) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL17224806 0.90 GPR84 (0.53) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL11800666 0.87 AKR1B1 (0.59) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL28352709 0.87 GPR84 (0.63) AKR1B1GPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL28789086 0.87 GPR84 (0.53) AKR1B1GPR84PPARGPPARDPPARA
Behenic Acid SCHEMBL11790871 0.85 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL972888 0.85 GPR84 (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1243269-A Fixing method for calcium tungstate nnclear/silver halides shell crystallite emulsion PHOTOSENSITIVE CHEMISTRY INST (CN) 2000-02-02 CN claimed
CN-1243269-A Fixing method for calcium tungstate nnclear/silver halides shell crystallite emulsion PHOTOSENSITIVE CHEMISTRY INST (CN) 2000-02-02 CN disclosed
CN-1243269-A Fixing method for calcium tungstate nnclear/silver halides shell crystallite emulsion PHOTOSENSITIVE CHEMISTRY INST (CN) 2000-02-02 CN disclosed