SCHEMBL6018753

SCHEMBL6018753

CCCCCCCCCCCCCCCC(=O)Oc1cc2oc(=O)ccc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.68
▸ CA9 Q16790 5/20 0.68
▸ CA1 P00915 4/20 0.68
▸ CA7 P43166 2/20 0.68
▸ CA13 Q8N1Q1 2/20 0.68
▸ ALDH1A1 P00352 5/20 0.63
▸ HPGD P15428 5/20 0.63
▸ KDM4E B2RXH2 4/20 0.63
▸ CASP1 P29466 4/20 0.63
▸ CASP7 P55210 4/20 0.63
▸ HSD17B10 Q99714 4/20 0.63
▸ GAA P10253 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ GLA P06280 2/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ AMY1A P0DUB6 1/20 0.63
▸ STAT6 P42226 1/20 0.63
▸ ERAP1 Q9NZ08 3/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.55

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
SCHEMBL6264815 0.83 CA9 (0.59) CA12CA9CA1CA7CA13
SCHEMBL6262163 0.83 CA9 (0.59) CA12CA9CA1CA7CA13
SCHEMBL6268111 0.83 CA9 (0.59) CA12CA9CA1CA7CA13
SCHEMBL6268109 0.83 CA9 (0.59) CA12CA9CA1CA7CA13
Scopolin SCHEMBL6260522 0.81 CA12 (1.00) CA12CA9CA1CA7CA13
Scopolin SCHEMBL14296928 0.81 CA12 (1.00) CA12CA9CA1CA7CA13
Scopolin SCHEMBL1674804 0.81 CA12 (1.00) CA12CA9CA1CA7CA13
SCHEMBL17838079 0.81 CA12 (1.00) CA12CA9CA1CA7CA13
SCHEMBL15745927 0.79 CA12 (0.80) CA12CA9CA1CA7CA13
Esculin SCHEMBL11411065 0.79 ALDH1A1 (0.92) CA12CA9CA1CA7CA13

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
US-20060115880-A1 Enzymatic production of acyl flavonoid derivatives COGNIS FRANCE S.A. (FR) 2006-06-01 — — US disclosed
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