Hexanoate

Hexanoate

SCHEMBL31065019

C=CCC(CCCC)C(=O)O.CCCCCC(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.53
GPR84 Q9NQS5 7/20 0.52
PPARG P37231 7/20 0.52
PPARD Q03181 7/20 0.52
PPARA Q07869 7/20 0.52
HDAC11 Q96DB2 5/20 0.52
TSHR P16473 4/20 0.52
PTPN1 P18031 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TLR2 O60603 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
FABP4 P15090 2/20 0.52
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 2/20 0.52
ALOX15 P16050 2/20 0.52
HSD17B10 Q99714 2/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
MEN1 O00255 1/20 0.52
ESR1 P03372 1/20 0.52

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
SCHEMBL570260 0.91 CA2 (0.61) GPR84TDP1FFAR1CA2MAPK1
SCHEMBL2081268 0.91 CA2 (0.61) GPR84TDP1FFAR1CA2MAPK1
SCHEMBL9237929 0.90 CA2 (0.53) GPR84PPARDALDH1A1TDP1FFAR1
SCHEMBL584897 0.90 CA2 (0.53) GPR84PPARDALDH1A1TDP1FFAR1
SCHEMBL8572261 0.90 CA2 (0.59) GPR84TDP1CA2MAPK1
SCHEMBL8567555 0.90 CA2 (0.59) GPR84TDP1FFAR1CA2MAPK1
SCHEMBL9239263 0.90 CA2 (0.53) GPR84PPARDALDH1A1TDP1FFAR1
SCHEMBL5364150 0.88 GRIK1 (0.54) GPR84PPARDFFAR1FFAR4CA2
SCHEMBL3790930 0.88 GRIK1 (0.54) GPR84PPARDFFAR1FFAR4CA2
SCHEMBL5367390 0.88 GRIK1 (0.54) GPR84PPARDFFAR1FFAR4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269888-B Fragrance enhancing composition 阿尔门德拉私人有限公司 2024-08-27 CN disclosed