Hexanoate

Hexanoate

SCHEMBL5874560

CCCCCC(=O)O.OCCON(OCCO)OCCO

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.59
GPR84 Q9NQS5 7/20 0.57
PPARG P37231 7/20 0.57
PPARD Q03181 7/20 0.57
PPARA Q07869 7/20 0.57
HDAC11 Q96DB2 5/20 0.57
TSHR P16473 4/20 0.57
PTPN1 P18031 3/20 0.57
FABP4 P15090 3/20 0.57
ALDH1A1 P00352 2/20 0.57
TLR2 O60603 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
KMT2A Q03164 2/20 0.57
ALOX15 P16050 2/20 0.57
HSD17B10 Q99714 2/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
SLC22A8 Q8TCC7 1/20 0.57
MEN1 O00255 1/20 0.57
ESR1 P03372 1/20 0.57
PDE4A P27815 1/20 0.57

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
Stearic Acid SCHEMBL919565 0.98 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Nonanoate SCHEMBL5874628 0.98 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Myristic Acid SCHEMBL3469992 0.98 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL5874396 0.98 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Heptanoate SCHEMBL5874736 0.98 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL3470118 0.98 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL5874225 0.98 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Behenic Acid SCHEMBL15973561 0.98 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL5712838 0.98 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Valeric Acid SCHEMBL5874664 0.94 AKR1B1 (0.50) 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
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
US-4534916-A CONTACT LENS PREPARATION IN THE PRESENCE OF A SURFACTANT Ceskoslovenska (CS) 1985-08-13 US disclosed