SCHEMBL28043642

SCHEMBL28043642

O=C(/C=C/c1ccc(O)c(O)c1)OCCCCCOC(=O)/C=C/c1ccc(O)c(O)c1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 13/20 0.89
▸ TTR P02766 5/20 0.70
▸ DPP4 P27487 1/20 0.70
▸ ALOX15 P16050 3/20 0.68
▸ HSD17B10 Q99714 3/20 0.68
▸ CYP3A4 P08684 2/20 0.68
▸ ALOX12 P18054 2/20 0.68
▸ MAPK1 P28482 2/20 0.68
▸ AKR1B10 O60218 2/20 0.68
▸ AKR1B1 P15121 2/20 0.68
▸ TDP1 Q9NUW8 2/20 0.68
▸ TP53 P04637 2/20 0.68
▸ KDM4E B2RXH2 1/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ GMNN O75496 1/20 0.68
▸ ALDH1A1 P00352 1/20 0.68
▸ EGFR P00533 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ ESR1 P03372 1/20 0.68
▸ ERBB2 P04626 1/20 0.68

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
SCHEMBL16428905 0.93 APP (1.00) APPTTRDPP4ALOX15HSD17B10
SCHEMBL19358977 0.93 APP (1.00) APPTTRDPP4ALOX15HSD17B10
SCHEMBL17457140 0.93 APP (1.00) APPTTRDPP4ALOX15HSD17B10
Hexylcaffeate SCHEMBL7943388 0.93 APP (1.00) APPTTRDPP4ALOX15HSD17B10
SCHEMBL19359049 0.93 APP (1.00) APPTTRDPP4ALOX15HSD17B10
SCHEMBL19358989 0.93 APP (1.00) APPTTRDPP4ALOX15HSD17B10
SCHEMBL15009234 0.93 APP (1.00) APPTTRDPP4ALOX15HSD17B10
SCHEMBL19359050 0.93 APP (1.00) APPTTRDPP4ALOX15HSD17B10
Hexylcaffeate SCHEMBL19358999 0.93 APP (1.00) APPTTRDPP4ALOX15HSD17B10
SCHEMBL19358992 0.93 APP (1.00) APPTTRDPP4ALOX15HSD17B10

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
CN-105163728-A Therapeutic compositions comprising propolis extract and uses thereof MANUKA HEALTH NEW ZEALAND LTD 2015-12-16 — — CN disclosed
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