SCHEMBL24426893

SCHEMBL24426893

COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(OC)cc(OCCCCN(C)C)cc3O[C@@]2(c2ccc(OC)cc2)[C@@H]1C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EIF4A1 P60842 18/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ PAX8 Q06710 1/20 0.57
▸ NFKB1 P19838 1/20 0.53
▸ RELA Q04206 1/20 0.53

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
SCHEMBL20006107 0.90 EIF4A1 (0.60) EIF4A1CYP3A4HIF1APAX8NFKB1
SCHEMBL17414019 0.88 EIF4A1 (0.78) EIF4A1CYP3A4HIF1APAX8NFKB1
SCHEMBL29532100 0.88 EIF4A1 (0.78) EIF4A1CYP3A4HIF1APAX8NFKB1
SCHEMBL18862495 0.88 EIF4A1 (0.62) EIF4A1CYP3A4HIF1APAX8NFKB1
SCHEMBL24180216 0.88 EIF4A1 (0.59) EIF4A1CYP3A4HIF1APAX8NFKB1
SCHEMBL24180198 0.86 EIF4A1 (0.56) EIF4A1CYP3A4HIF1APAX8NFKB1
SCHEMBL18836220 0.83 EIF4A1 (0.70) EIF4A1CYP3A4HIF1APAX8NFKB1
SCHEMBL20006526 0.83 EIF4A1 (0.53) EIF4A1CYP3A4HIF1APAX8NFKB1
SCHEMBL20006159 0.81 EIF4A1 (0.46) EIF4A1CYP3A4HIF1APAX8NFKB1
SCHEMBL23226909 0.79 EIF4A1 (0.81) EIF4A1CYP3A4HIF1APAX8NFKB1

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-3998257-A1 FLAVAGLINE DERIVATIVES PIERRE FABRE MEDICAMENT (FR) 2022-05-18 — — EP disclosed
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