SCHEMBL13329005

SCHEMBL13329005

COc1cc(OC)c2c(c1)O[C@@]1(c3ccc(Br)cc3)[C@H](c3cccc(F)c3)[C@@H](C(N)=O)[C@@H](O)[C@@]21O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.62
EIF4A1 P60842 17/20 0.61
CYP3A4 P08684 1/20 0.61
HIF1A Q16665 1/20 0.61
NFKB1 P19838 1/20 0.60
RELA Q04206 1/20 0.60
ABHD10 Q9NUJ1 1/20 0.50

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
SCHEMBL2629286 0.92 PAX8 (0.74) PAX8EIF4A1CYP3A4HIF1ANFKB1
SCHEMBL2629306 0.92 EIF4A1 (0.51) PAX8EIF4A1CYP3A4HIF1ANFKB1
SCHEMBL13329091 0.91 EIF4A1 (0.73) PAX8EIF4A1CYP3A4HIF1ANFKB1
SCHEMBL31123677 0.90 EIF4A1 (0.75) PAX8EIF4A1CYP3A4HIF1ANFKB1
SCHEMBL2629307 0.85 PAX8 (0.84) PAX8EIF4A1CYP3A4HIF1ANFKB1
Didesmethylrocaglamide SCHEMBL29520556 0.85 EIF4A1 (0.83) PAX8EIF4A1CYP3A4HIF1ANFKB1
Didesmethylrocaglamide SCHEMBL31489959 0.85 EIF4A1 (0.83) PAX8EIF4A1CYP3A4HIF1ANFKB1
SCHEMBL22773436 0.84 EIF4A1 (0.74) PAX8EIF4A1CYP3A4HIF1ANFKB1
SCHEMBL21275500 0.84 EIF4A1 (0.74) PAX8EIF4A1CYP3A4HIF1ANFKB1
SCHEMBL22773451 0.84 EIF4A1 (0.74) PAX8EIF4A1CYP3A4HIF1ANFKB1

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
WO-2010060891-A1 ROCAGLAOL DERIVATIVES AS CARDIOPROTECTANT AGENTS AND AS ANTINEOPLASTIC AGENTS UNIVERSITE DE STRASBOURG (FR) 2010-06-03 WO disclosed