Linoleic Acid

Linoleic Acid

SCHEMBL3155308

CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.COc1cc(C=O)ccc1O

nearest known ligand 0.62

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.58
CNR2 P34972 1/20 0.58
TRPV1 Q8NER1 3/20 0.57
HPGD P15428 3/20 0.57
CYP3A4 P08684 2/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
MTOR P42345 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 5/20 0.56
F7 P08709 3/20 0.56
F3 P13726 3/20 0.56
PPARG P37231 2/20 0.56
PPARD Q03181 2/20 0.56
PPARA Q07869 2/20 0.56
FFAR1 O14842 2/20 0.56
DUSP3 P51452 1/20 0.56

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
Oleic Acid SCHEMBL28164028 0.98 TRPV1 (0.59) CNR1CNR2TRPV1HPGDCYP3A4
Oleic Acid SCHEMBL891276 0.98 TRPV1 (0.59) CNR1CNR2TRPV1HPGDCYP3A4
Linolenic Acid SCHEMBL6908141 0.94 ALDH1A1 (0.56) CNR1CNR2TRPV1HPGDCYP3A4
Nonanoate SCHEMBL28996453 0.92 ALDH1A1 (0.64) TRPV1HPGDCYP3A4CYP1A2CYP2D6
Stearic Acid SCHEMBL891657 0.92 ALDH1A1 (0.64) TRPV1HPGDCYP3A4CYP1A2CYP2D6
Palmitic Acid SCHEMBL891192 0.92 ALDH1A1 (0.64) TRPV1HPGDCYP3A4CYP1A2CYP2D6
Dodecanoate SCHEMBL891292 0.92 ALDH1A1 (0.64) TRPV1HPGDCYP3A4CYP1A2CYP2D6
Vanillin SCHEMBL891409 0.91 ALDH1A1 (0.66) HPGDCYP3A4CYP1A2CYP2D6ALDH1A1
Vanillin SCHEMBL891220 0.87 ALDH1A1 (0.68) HPGDCYP3A4MAPTMEN1TP53
Vanillin SCHEMBL27603751 0.87 ALDH1A1 (0.71) HPGDCYP3A4MAPTMEN1TP53

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
EP-1701689-B1 VANILLIN POLYMERS FOR USE IN DARKENING THE SKIN JOHNSON & JOHNSON CONSUMER (US) 2010-02-10 EP disclosed