Octane

Octane

SCHEMBL6150889

CC(C)CCCCCCCCCCCCCCC(=O)O.CCCCCCCC

nearest known ligand 0.71

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.71
FFAR1 O14842 2/20 0.71
GPR84 Q9NQS5 7/20 0.71
PPARG P37231 7/20 0.71
PPARD Q03181 7/20 0.71
PPARA Q07869 7/20 0.71
HDAC11 Q96DB2 5/20 0.71
TSHR P16473 4/20 0.71
PTPN1 P18031 3/20 0.71
ALDH1A1 P00352 3/20 0.71
TLR2 O60603 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
FABP4 P15090 2/20 0.71
KMT2A Q03164 2/20 0.71
SLC22A6 Q4U2R8 1/20 0.71
SLC22A8 Q8TCC7 1/20 0.71
MEN1 O00255 1/20 0.71
ESR1 P03372 1/20 0.71
ALOX15 P16050 1/20 0.71
PDE4A P27815 1/20 0.71

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
Dodecanoate SCHEMBL20394137 1.00 FFAR4 (0.71) FFAR4FFAR1GPR84PPARGPPARD
Palmitic Acid SCHEMBL7024981 1.00 FFAR4 (0.71) FFAR4FFAR1GPR84PPARGPPARD
Octanoic Acid SCHEMBL20394180 1.00 FFAR4 (0.71) FFAR4FFAR1GPR84PPARGPPARD
Myristic Acid SCHEMBL7030694 1.00 FFAR4 (0.71) FFAR4FFAR1GPR84PPARGPPARD
Palmitic Acid SCHEMBL8408025 1.00 FFAR4 (0.71) FFAR4FFAR1GPR84PPARGPPARD
Palmitic Acid SCHEMBL3253364 1.00 FFAR4 (0.71) FFAR4FFAR1GPR84PPARGPPARD
Nonanoate SCHEMBL9821999 1.00 FFAR4 (0.71) FFAR4FFAR1GPR84PPARGPPARD
Myristic Acid SCHEMBL483608 1.00 FFAR4 (0.71) FFAR4FFAR1GPR84PPARGPPARD
Palmitic Acid SCHEMBL11519205 1.00 FFAR4 (0.71) FFAR4FFAR1GPR84PPARGPPARD
Stearic Acid SCHEMBL10896371 1.00 FFAR4 (0.71) FFAR4FFAR1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115478-B1 EMOLLIENT ESTERS BASED UPON CAPRYL ALCOHOL AND ISOSTEARIC ACID BERNEL CHEMICAL COMPANY INC (US) 2005-01-19 EP disclosed
EP-1115478-A4 EMOLLIENT ESTERS BASED UPON CAPRYL ALCOHOL AND ISOSTEARIC ACID BERNEL CHEMICAL COMPANY INC (US) 2003-05-28 EP disclosed
EP-1115478-A2 EMOLLIENT ESTERS BASED UPON CAPRYL ALCOHOL AND ISOSTEARIC ACID Bernel Chemical Company, Inc. (US) 2001-07-18 EP disclosed
WO-2000003680-A2 EMOLLIENT ESTERS BASED UPON CAPRYL ALCOHOL AND ISOSTEARIC ACID BERNEL CHEMICAL COMPANY, INC. (US) 2000-01-27 WO disclosed