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SCHEMBL16500263

SCHEMBL16500263

COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c(CC(COC=O)Oc6ccc(O)cc6)c(c(c1CC(C)OC(=O)c1ccccc1)c23)c54

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 8/20 0.73
▸ TCF4 P15884 7/20 0.73
▸ CDH1 P12830 2/20 0.73
▸ APC P25054 2/20 0.73
▸ TCF7L2 Q9NQB0 2/20 0.73
▸ MAPT P10636 1/20 0.73
▸ THRB P10828 1/20 0.73
▸ SYK P43405 1/20 0.73
▸ SMN1; SMN2 Q16637 1/20 0.73

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
SCHEMBL29711243 0.85 CTNNB1 (0.81) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL29525736 0.84 CTNNB1 (1.00) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL3469324 0.84 CTNNB1 (1.00) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL29372562 0.84 CTNNB1 (1.00) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL29711326 0.83 CTNNB1 (0.78) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL29711331 0.81 CTNNB1 (0.76) CTNNB1TCF4CDH1APCTCF7L2
Calphostin C SCHEMBL15185703 0.73 CTNNB1 (0.79) CTNNB1TCF4CDH1APCTCF7L2
Calphostin C SCHEMBL13827621 0.73 CTNNB1 (0.79) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL31134383 0.69 CTNNB1 (0.64) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL29711267 0.66 CTNNB1 (0.68) CTNNB1TCF4CDH1APCTCF7L2

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
EP-2431386-B1 Na+/Mg2+ exchanger FBN LEIBNIZ INST FÜR NUTZTIERBIOLOGIE (DE) 2015-02-25 — — EP disclosed
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