SCHEMBL30721006

SCHEMBL30721006

COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1OC)C(O)C2=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ ALOX15 P16050 3/20 0.48
▸ RECQL P46063 2/20 0.48
▸ SOST Q9BQB4 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ ALOX12 P18054 2/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ NFKB1 P19838 1/20 0.48

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
SCHEMBL30269563 0.85 MEN1 (0.54) XDHALDH1A1MAPTMEN1KMT2A
SCHEMBL23698994 0.80 MAPT (0.75) XDHALDH1A1MAPTMEN1KMT2A
SCHEMBL16887971 0.80 MAPT (0.75) XDHALDH1A1MAPTMEN1KMT2A
SCHEMBL17485808 0.80 XDH (0.62) XDHALDH1A1MAPTMEN1KMT2A
SCHEMBL21588168 0.80 SYNJ2 (0.74) XDHALDH1A1MAPTMEN1KMT2A
SCHEMBL28684198 0.80 CBS (0.67) XDHALDH1A1MAPTMEN1KMT2A
SCHEMBL30641793 0.80 CBS (0.67) XDHALDH1A1MAPTMEN1KMT2A
SCHEMBL31190926 0.80 CBS (0.67) XDHALDH1A1MAPTMEN1KMT2A
SCHEMBL30350498 0.80 SYNJ2 (0.74) XDHALDH1A1MAPTMEN1KMT2A
SCHEMBL23743745 0.77 XDH (0.65) XDHALDH1A1MAPTMEN1KMT2A

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
CN-112209911-B Flavonoid component in fine She Yuanwei and antioxidant activity thereof 中国药科大学 2023-12-01 — — CN claimed
CN-112209911-B Flavonoid component in fine She Yuanwei and antioxidant activity thereof 中国药科大学 2023-12-01 — — CN disclosed
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