SCHEMBL28440296

SCHEMBL28440296

COc1cc(/C=C/c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)ccc1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.61
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
HTT P42858 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP1A1 P04798 3/20 0.57
CYP1B1 Q16678 2/20 0.57
TTR P02766 1/20 0.57
NQO2 P16083 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
MYC P01106 1/20 0.57
CYP1A2 P05177 2/20 0.57
CYP19A1 P11511 1/20 0.57
GSK3B P49841 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56

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
SCHEMBL28440910 0.95 PDCD1 (0.60) APPALDH1A1KDM4ECYP1A1CYP1B1
SCHEMBL17201738 0.94 CYP1A1 (0.67) APPALDH1A1HPGDHTTKDM4E
SCHEMBL13725753 0.94 CYP1A1 (0.67) APPALDH1A1HPGDHTTKDM4E
SCHEMBL28447863 0.92 CYP1A1 (0.62) APPCYP1A1CYP1B1TTRNQO2
SCHEMBL19734612 0.92 APP (0.70) APPALDH1A1HPGDHTTKDM4E
SCHEMBL17201732 0.90 APP (0.60) APPALDH1A1HPGDHTTKDM4E
SCHEMBL20684248 0.90 APP (0.53) APPALDH1A1HPGDHTTKDM4E
SCHEMBL17201731 0.90 APP (0.60) APPALDH1A1HPGDHTTKDM4E
SCHEMBL13727654 0.90 APP (0.54) APPALDH1A1HPGDHTTKDM4E
SCHEMBL38661511 0.89 NQO2 (0.66) APPCYP1A1CYP1B1TTRNQO2

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-106336347-B New method for synthesizing hydroxystilbenes 中国科学院成都有机化学有限公司 2020-08-18 CN disclosed