Nonanoate

Nonanoate

SCHEMBL5874620

CCCCCCCCC(=O)O.OCCN(CCO)CCO

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.68
PPARG P37231 7/20 0.68
PPARD Q03181 7/20 0.68
PPARA Q07869 7/20 0.68
HDAC11 Q96DB2 5/20 0.68
TSHR P16473 4/20 0.68
PTPN1 P18031 3/20 0.68
FABP4 P15090 3/20 0.68
ALDH1A1 P00352 2/20 0.68
TLR2 O60603 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
KMT2A Q03164 2/20 0.68
ALOX15 P16050 2/20 0.68
HSD17B10 Q99714 2/20 0.68
SLC22A6 Q4U2R8 1/20 0.68
SLC22A8 Q8TCC7 1/20 0.68
MEN1 O00255 1/20 0.68
ESR1 P03372 1/20 0.68
PDE4A P27815 1/20 0.68
PDE3A Q14432 1/20 0.68

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
Octanoic Acid SCHEMBL31009323 1.00 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL50070 1.00 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL31009320 1.00 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL325169 1.00 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL2044161 1.00 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL9150224 1.00 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL15753 1.00 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL323924 1.00 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Trolamine SCHEMBL5874721 1.00 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Trolamine SCHEMBL31009316 1.00 GPR84 (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3518878-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION Henkel AG & Co. KGaA (DE) 2019-08-07 EP disclosed
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed