SCHEMBL29532250

SCHEMBL29532250

COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@@H]2OC(N)=N[C@@H]2[C@H]3c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABHD10 Q9NUJ1 1/20 0.71
▸ EIF4A1 P60842 17/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ NFKB1 P19838 1/20 0.60
▸ RELA Q04206 1/20 0.60
▸ PAX8 Q06710 1/20 0.51

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
SCHEMBL17414107 1.00 ABHD10 (0.71) ABHD10EIF4A1CYP3A4HIF1ANFKB1
SCHEMBL18836092 1.00 ABHD10 (0.71) ABHD10EIF4A1CYP3A4HIF1ANFKB1
SCHEMBL20006494 0.89 ABHD10 (0.57) ABHD10EIF4A1CYP3A4HIF1ANFKB1
SCHEMBL24426791 0.81 EIF4A1 (0.75) ABHD10EIF4A1CYP3A4HIF1ANFKB1
SCHEMBL17414035 0.81 EIF4A1 (0.75) ABHD10EIF4A1CYP3A4HIF1ANFKB1
SCHEMBL24180270 0.81 EIF4A1 (0.75) ABHD10EIF4A1CYP3A4HIF1ANFKB1
SCHEMBL18836358 0.81 EIF4A1 (0.75) ABHD10EIF4A1CYP3A4HIF1ANFKB1
SCHEMBL29532097 0.81 EIF4A1 (0.75) ABHD10EIF4A1CYP3A4HIF1ANFKB1
SCHEMBL17396593 0.80 ABHD10 (0.75) ABHD10EIF4A1CYP3A4HIF1ANFKB1
SCHEMBL17396592 0.80 ABHD10 (0.75) ABHD10EIF4A1CYP3A4HIF1ANFKB1

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