Linolenic Acid

Linolenic Acid

SCHEMBL9754411

CC(C)=CCCC(C)CCO.CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O

nearest known ligand 0.62

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.62
F7 P08709 7/20 0.62
F3 P13726 7/20 0.62
PPARG P37231 6/20 0.62
PPARD Q03181 5/20 0.62
PPARA Q07869 5/20 0.62
CYP19A1 P11511 4/20 0.62
PTGS1 P23219 4/20 0.62
FFAR1 O14842 4/20 0.62
OXER1 Q8TDS5 3/20 0.62
ALOX15 P16050 3/20 0.62
MAPT P10636 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 2/20 0.62
LMNA P02545 2/20 0.62
CYP3A4 P08684 2/20 0.62
HPGD P15428 2/20 0.62
FFAR4 Q5NUL3 2/20 0.62
HSD17B10 Q99714 2/20 0.62
TDP1 Q9NUW8 2/20 0.62

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
Linoleic Acid SCHEMBL29141226 0.93 PPARG (0.62) ALDH1A1F7F3PPARGPPARD
Citronellol SCHEMBL27904970 0.83 ALOX15 (0.60) ALDH1A1F7F3PPARGPPARD
Citronellol SCHEMBL27905065 0.81 ALOX15 (0.64) ALDH1A1F7F3PPARGPPARD
Citronellol SCHEMBL29700501 0.80 ALOX15 (0.68) ALDH1A1ALOX15TSHR
Linolenic Acid SCHEMBL27676951 0.80 ALDH1A1 (0.90) ALDH1A1F7F3PPARGPPARD
Oleic Acid SCHEMBL1197823 0.79 PPARG (0.72) ALDH1A1F7F3PPARGPPARD
Linolenic Acid SCHEMBL5483556 0.79 ALDH1A1 (0.93) ALDH1A1F7F3PPARGPPARD
SCHEMBL23698169 0.79 ALDH1A1 (1.00) ALDH1A1F7F3PPARGPPARD
SCHEMBL23698219 0.79 ALDH1A1 (1.00) ALDH1A1F7F3PPARGPPARD
SCHEMBL23698134 0.79 ALDH1A1 (1.00) ALDH1A1F7F3PPARGPPARD

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
WO-1991015269-A1 NON-TOXIC FIRE EXTINGUISHANT TAG INVESTMENTS INC. (CA) 1991-10-17 WO disclosed