SCHEMBL29532011

SCHEMBL29532011

C=CCCCOc1cc(OC)c2c(c1)O[C@@]1(c3ccc(OC)cc3)[C@H](c3ccccc3)[C@@H](C(=O)OC)[C@@H](O)[C@@]21O

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EIF4A1 P60842 18/20 0.78
▸ CYP3A4 P08684 1/20 0.78
▸ HIF1A Q16665 1/20 0.78
▸ PAX8 Q06710 1/20 0.66
▸ NFKB1 P19838 1/20 0.64
▸ RELA Q04206 1/20 0.64

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
SCHEMBL18836422 0.94 EIF4A1 (0.67) EIF4A1CYP3A4HIF1APAX8NFKB1
SCHEMBL18836094 0.93 EIF4A1 (0.79) EIF4A1CYP3A4HIF1APAX8NFKB1
SCHEMBL29532054 0.93 EIF4A1 (0.79) EIF4A1CYP3A4HIF1APAX8NFKB1
SCHEMBL17414008 0.93 EIF4A1 (0.79) EIF4A1CYP3A4HIF1APAX8NFKB1
SCHEMBL23463325 0.90 EIF4A1 (0.81) EIF4A1CYP3A4HIF1APAX8NFKB1
SCHEMBL18836582 0.90 EIF4A1 (0.81) EIF4A1CYP3A4HIF1APAX8
SCHEMBL20496141 0.90 EIF4A1 (0.81) EIF4A1CYP3A4HIF1APAX8NFKB1
SCHEMBL20496140 0.90 EIF4A1 (0.81) EIF4A1CYP3A4HIF1APAX8NFKB1
SCHEMBL17414018 0.90 EIF4A1 (0.81) EIF4A1CYP3A4HIF1APAX8
SCHEMBL23226909 0.90 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
Send feedback