Methylcaffeate

Methylcaffeate

SCHEMBL669440

COC(=O)C=Cc1ccc(O)c(O)c1.O=C(O)C=Cc1ccc(O)c(O)c1

nearest known ligand 0.88

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.88
TTR P02766 5/20 0.88
PTPN1 P18031 3/20 0.82
KDM4E B2RXH2 3/20 0.75
HSD17B10 Q99714 3/20 0.75
CA12 O43570 3/20 0.75
CA1 P00915 3/20 0.75
CA2 P00918 3/20 0.75
CA7 P43166 3/20 0.75
CA9 Q16790 3/20 0.75
CA14 Q9ULX7 3/20 0.75
CA3 P07451 2/20 0.75
CA4 P22748 2/20 0.75
CA6 P23280 2/20 0.75
CA5A P35218 2/20 0.75
CA5B Q9Y2D0 2/20 0.75
DPP4 P27487 2/20 0.75
TDP1 Q9NUW8 2/20 0.75
AKR1B10 O60218 2/20 0.75
AKR1B1 P15121 2/20 0.75

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
Methylcaffeate SCHEMBL817520 0.94 APP (1.00) APPTTRPTPN1KDM4EHSD17B10
Methylcaffeate SCHEMBL30637688 0.94 APP (1.00) APPTTRPTPN1KDM4EHSD17B10
Methylcaffeate SCHEMBL198252 0.94 APP (1.00) APPTTRPTPN1KDM4EHSD17B10
Methylcaffeate SCHEMBL30963730 0.94 APP (1.00) APPTTRPTPN1KDM4EHSD17B10
Caffeic Acid SCHEMBL28575890 0.90 KDM4E (0.86) APPTTRPTPN1KDM4EHSD17B10
Methyl Cis-Ferulate SCHEMBL28579169 0.87 EPHX2 (0.89) APPTTRPTPN1KDM4EHSD17B10
Caffeic Acid SCHEMBL7064846 0.87 KDM4E (1.00) APPTTRPTPN1KDM4EHSD17B10
Caffeic Acid SCHEMBL21114743 0.87 KDM4E (1.00) APPTTRPTPN1KDM4EHSD17B10
Caffeic Acid SCHEMBL1262229 0.87 KDM4E (1.00) APPTTRPTPN1KDM4EHSD17B10
Caffeic Acid SCHEMBL23358 0.87 KDM4E (1.00) APPTTRPTPN1KDM4EHSD17B10

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
EP-2605756-A2 FUNCTIONAL FOOD COMPOSITIONS AND METHODS Clearfarma Industries Ltd. (IL) 2013-06-26 EP disclosed
WO-2012023142-A2 FUNCTIONAL FOOD COMPOSITIONS AND METHODS CLEARFARMA INDUSTRIES LTD. (IL) 2012-02-23 WO disclosed