SCHEMBL30733166

SCHEMBL30733166

CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCCCCCCCC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.74
DGKA P23743 1/20 0.73
LPAR1 Q92633 7/20 0.69
LPAR4 Q99677 3/20 0.69
LPAR2 Q9HBW0 3/20 0.69
LPAR3 Q9UBY5 3/20 0.69
ENPP2 Q13822 2/20 0.69
LPAR5 Q9H1C0 2/20 0.69
CES2 O00748 1/20 0.69
LPAR6 P43657 1/20 0.69
TRPV1 Q8NER1 1/20 0.69
ALDH1A1 P00352 1/20 0.68
CYP3A4 P08684 1/20 0.68
ALOX15 P16050 1/20 0.68
TSHR P16473 1/20 0.68
HSD17B10 Q99714 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
PRKCE Q02156 1/20 0.59
PRKCQ Q04759 1/20 0.59
PRKCD Q05655 1/20 0.59

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
SCHEMBL19676635 1.00 FAAH (0.74) FAAHDGKALPAR1LPAR4LPAR2
SCHEMBL29403091 0.97 FAAH (0.70) FAAHDGKALPAR1LPAR4LPAR2
SCHEMBL19564924 0.96 FAAH (0.80) FAAHDGKALPAR1LPAR4LPAR2
SCHEMBL3195987 0.96 ALDH1A1 (0.73) FAAHDGKALPAR1LPAR4LPAR2
SCHEMBL19564918 0.96 FAAH (0.80) FAAHDGKALPAR1LPAR4LPAR2
SCHEMBL24625047 0.96 FAAH (0.80) FAAHDGKALPAR1LPAR4LPAR2
SCHEMBL25359256 0.96 FAAH (0.80) FAAHDGKALPAR1LPAR4LPAR2
SCHEMBL2732836 0.96 FAAH (0.80) FAAHDGKALPAR1LPAR4LPAR2
SCHEMBL19570300 0.96 FAAH (0.80) FAAHDGKALPAR1LPAR4LPAR2
SCHEMBL21436112 0.96 FAAH (0.80) FAAHDGKALPAR1LPAR4LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117482139-A Application of NFC apple juice in preparation of product for preventing and treating alcoholic liver/intestinal injury 青岛农业大学 2024-02-02 CN claimed
CN-117482139-A Application of NFC apple juice in preparation of product for preventing and treating alcoholic liver/intestinal injury 青岛农业大学 2024-02-02 CN disclosed