Hexanoate

Hexanoate

SCHEMBL9624938

CCCCCC(=O)O.CCCCCCCCCCCC(N)=O

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.81
PPARG P37231 7/20 0.81
PPARD Q03181 7/20 0.81
PPARA Q07869 7/20 0.81
HDAC11 Q96DB2 5/20 0.81
TSHR P16473 4/20 0.81
PTPN1 P18031 3/20 0.81
FABP4 P15090 3/20 0.81
ALDH1A1 P00352 2/20 0.81
TLR2 O60603 2/20 0.81
TDP1 Q9NUW8 2/20 0.81
KMT2A Q03164 2/20 0.81
ALOX15 P16050 2/20 0.81
HSD17B10 Q99714 2/20 0.81
SLC22A6 Q4U2R8 1/20 0.81
SLC22A8 Q8TCC7 1/20 0.81
MEN1 O00255 1/20 0.81
ESR1 P03372 1/20 0.81
PDE4A P27815 1/20 0.81
PDE3A Q14432 1/20 0.81

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
Sebacic Acid SCHEMBL29080537 1.00 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL31465216 1.00 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL10611193 1.00 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL10840310 1.00 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11
Octadecanoic Acid Amide SCHEMBL31472277 1.00 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL20912552 1.00 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL4372745 1.00 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL8989255 1.00 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11
Behenic Acid SCHEMBL8945829 1.00 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11
Octadecanoic Acid Amide SCHEMBL28708586 1.00 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5167709-A Improved spreadability KAO CORPORATION (JP) 1992-12-01 US disclosed
EP-0455018-A1 Pigment consisting of polyvalent metal salt of amidosulfonic acid and cosmetic composition containing the same KAO CORPORATION (JP) 1991-11-06 EP disclosed