SCHEMBL28213500

SCHEMBL28213500

COc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(O)c1)[C@@H](O)C2=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.71
▸ XDH P47989 3/20 0.62
▸ CYP3A4 P08684 4/20 0.61
▸ ALOX15 P16050 4/20 0.61
▸ MAPT P10636 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ RECQL P46063 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ GAA P10253 2/20 0.61
▸ ALOX12 P18054 2/20 0.61
▸ HIF1A Q16665 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ SOST Q9BQB4 1/20 0.61
▸ CYP2C9 P11712 4/20 0.56
▸ SLCO1B3 Q9NPD5 4/20 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
SCHEMBL28302550 1.00 ALDH1A1 (0.71) ALDH1A1XDHCYP3A4ALOX15MAPT
Tamaraxetin SCHEMBL18235875 0.92 CYP3A4 (0.73) ALDH1A1XDHCYP3A4ALOX15MAPT
Tamaraxetin SCHEMBL16887881 0.92 CYP3A4 (0.73) ALDH1A1XDHCYP3A4ALOX15MAPT
Tamaraxetin SCHEMBL30256267 0.92 CYP3A4 (0.73) ALDH1A1XDHCYP3A4ALOX15MAPT
SCHEMBL23698994 0.91 MAPT (0.75) ALDH1A1XDHCYP3A4ALOX15MAPT
SCHEMBL16887971 0.91 MAPT (0.75) ALDH1A1XDHCYP3A4ALOX15MAPT
SCHEMBL31190926 0.88 CBS (0.67) ALDH1A1XDHCYP3A4ALOX15MAPT
SCHEMBL30641793 0.88 CBS (0.67) ALDH1A1XDHCYP3A4ALOX15MAPT
SCHEMBL28684198 0.88 CBS (0.67) ALDH1A1XDHCYP3A4ALOX15MAPT
SCHEMBL31162800 0.87 MEN1 (0.56) ALDH1A1XDHCYP3A4MAPTHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107927012-B Application of three kinds of plant essential oil in preparation of thrips palmi attractant 中国热带农业科学院环境与植物保护研究所 2020-04-10 — — CN disclosed
CN-107996541-A A kind of banana Huang chest thrips moth-killing device and method for enticing collection 中国热带农业科学院环境与植物保护研究所 2018-05-08 — — CN disclosed
CN-107927012-A Application of three kinds of plants essential oils in yellow chest thrips attractant is prepared 中国热带农业科学院环境与植物保护研究所 2018-04-20 — — CN disclosed
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