SCHEMBL28901029

SCHEMBL28901029

COc1cc(C=O)cc(C)c1O.COc1cccc(C=O)c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 12/20 0.69
▸ TLR2 O60603 1/20 0.69
▸ TLR1 Q15399 1/20 0.69
▸ TLR6 Q9Y2C9 1/20 0.69
▸ ALOX5 P09917 2/20 0.52
▸ PTGS1 P23219 2/20 0.52
▸ PTGS2 P35354 2/20 0.52
▸ ABL1 P00519 1/20 0.48
▸ ABCB1 P08183 1/20 0.48
▸ BCR P11274 1/20 0.48
▸ MAPT P10636 3/20 0.46
▸ EGFR P00533 1/20 0.46
▸ APP P05067 1/20 0.45
▸ TRIM24 O15164 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALDH5A1 P51649 1/20 0.45
▸ ABAT P80404 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ TRIM33 Q9UPN9 1/20 0.45

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
SCHEMBL20680483 0.90 ERN1 (0.76) ERN1TLR2TLR1TLR6ABL1
SCHEMBL29952164 0.85 EGFR (0.58) ERN1ALOX5PTGS1PTGS2ABL1
SCHEMBL5476629 0.85 EGFR (0.58) ERN1ALOX5PTGS1PTGS2ABL1
SCHEMBL929734 0.83 ERN1 (1.00) ERN1TLR2TLR1TLR6ABL1
SCHEMBL30485148 0.83 ERN1 (1.00) ERN1TLR2TLR1TLR6ABL1
SCHEMBL16004 0.83 ERN1 (1.00) ERN1TLR2TLR1TLR6ABL1
SCHEMBL11407272 0.82 ERN1 (0.96) ERN1TLR2TLR1TLR6ABL1
SCHEMBL4450612 0.82 ERN1 (0.96) ERN1TLR2TLR1TLR6ABL1
Vanillin SCHEMBL1934531 0.82 ALDH1A1 (0.71) ERN1TLR2TLR1TLR6ALOX5
Ethylene SCHEMBL28629154 0.80 ERN1 (0.93) ERN1TLR2TLR1TLR6ABL1

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-111707754-A Method for measuring guaiacol, ortho-vanillin, 5-methyl vanillin and 5-aldehyde vanillin in vanillin 上海应用技术大学 2020-09-25 — — CN disclosed
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