Benzyl Ferulate

Benzyl Ferulate

SCHEMBL20525487

C=CC(C)(C)c1c(C=CC(=O)O)ccc(O)c1O.COc1cc(C=CC(=O)OCc2ccccc2)ccc1O

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.67
CA4 P22748 4/20 0.67
CA6 P23280 4/20 0.67
CA5A P35218 4/20 0.67
CA7 P43166 4/20 0.67
CA9 Q16790 4/20 0.67
CA14 Q9ULX7 4/20 0.67
CA5B Q9Y2D0 4/20 0.67
MET P08581 9/20 0.56
TTR P02766 3/20 0.55
AKR1B10 O60218 1/20 0.51
AKR1B1 P15121 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
PKM P14618 1/20 0.50
CSNK2A2 P19784 1/20 0.50
SNCA P37840 1/20 0.50
CSNK2B P67870 1/20 0.50

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
Benzyl Ferulate SCHEMBL15419733 0.82 CA12 (1.00) CA12CA4CA6CA5ACA7
Benzyl Ferulate SCHEMBL16155887 0.82 CA12 (1.00) CA12CA4CA6CA5ACA7
SCHEMBL16150378 0.75 CA1 (0.42) CA12CA4CA6CA5ACA7
SCHEMBL28869313 0.73 CA12 (0.82) CA12CA4CA6CA5ACA7
SCHEMBL16155888 0.73 CA12 (0.82) CA12CA4CA6CA5ACA7
SCHEMBL7048864 0.73 MET (0.83) CA12CA4CA6CA5ACA7
SCHEMBL7048865 0.73 MET (0.83) CA12CA4CA6CA5ACA7
SCHEMBL15384085 0.73 CA12 (0.81) CA12CA4CA6CA5ACA7
SCHEMBL29009258 0.73 MET (0.86) CA12CA4CA6CA5ACA7
SCHEMBL2792633 0.72 TTR (1.00) CA12CA4CA6CA5ACA7

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-2981254-B1 THERAPEUTIC COMPOSITIONS COMPRISING EXTRACTS OF PROPOLIS AND USES THEREOF FOR THE TREATMENT OF GASTRIC CANCER MANUKA HEALTH NEW ZEALAND LTD (NZ) 2018-10-10 EP disclosed