SCHEMBL30269563

SCHEMBL30269563

COc1cc(O)c2c(c1)O[C@H](c1cc(OC)ccc1O)[C@@H](O)C2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MAPT P10636 4/20 0.54
▸ POLB P06746 3/20 0.54
▸ XDH P47989 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ THRB P10828 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.52
▸ CBS P35520 1/20 0.52
▸ CYP3A4 P08684 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ HIF1A Q16665 3/20 0.51
▸ ALOX15 P16050 3/20 0.51
▸ RECQL P46063 2/20 0.51
▸ SOST Q9BQB4 2/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ ALOX12 P18054 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51

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
SCHEMBL30721006 0.85 XDH (0.57) MEN1KMT2AMAPTPOLBXDH
SCHEMBL16887971 0.83 MAPT (0.75) MEN1KMT2AMAPTPOLBXDH
SCHEMBL23698994 0.83 MAPT (0.75) MEN1KMT2AMAPTPOLBXDH
SCHEMBL28684198 0.82 CBS (0.67) MEN1KMT2AMAPTPOLBXDH
SCHEMBL17485808 0.82 XDH (0.62) MEN1KMT2AMAPTPOLBXDH
SCHEMBL30641793 0.82 CBS (0.67) MEN1KMT2AMAPTPOLBXDH
SCHEMBL31190926 0.82 CBS (0.67) MEN1KMT2AMAPTPOLBXDH
SCHEMBL21588168 0.80 SYNJ2 (0.74) MEN1KMT2AMAPTPOLBXDH
SCHEMBL30350498 0.80 SYNJ2 (0.74) MEN1KMT2AMAPTPOLBXDH
SCHEMBL29101712 0.79 ALDH1A1 (0.69) MEN1KMT2AMAPTPOLBXDH

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-115840019-A Quality detection method for blumea balsamifera medicinal material 贵州百灵企业集团制药股份有限公司 2023-03-24 — — CN disclosed
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