SCHEMBL17396451

SCHEMBL17396451

COc1ccc(C23Oc4cc(OC)cc(OC)c4C2C(O)(O)C(C(=O)NN)C3c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EIF4A1 P60842 14/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ NFKB1 P19838 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ABHD10 Q9NUJ1 1/20 0.44
▸ PAX8 Q06710 1/20 0.44

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
SCHEMBL27093597 0.88 EIF4A1 (0.53) EIF4A1CYP3A4HIF1AALDH1A1TSHR
SCHEMBL17396581 0.81 CYP3A4 (0.46) EIF4A1CYP3A4HIF1AALDH1A1TSHR
SCHEMBL17396527 0.80 CYP3A4 (0.45) EIF4A1CYP3A4HIF1AALDH1A1TSHR
SCHEMBL17396633 0.79 CYP3A4 (0.46) EIF4A1CYP3A4HIF1AALDH1A1TSHR
SCHEMBL18836325 0.74 EIF4A1 (0.87) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL17396604 0.74 EIF4A1 (0.87) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL31581546 0.74 EIF4A1 (0.87) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL21900124 0.74 EIF4A1 (0.67) EIF4A1CYP3A4HIF1AALDH1A1TSHR
SCHEMBL20006092 0.72 EIF4A1 (0.51) EIF4A1CYP3A4HIF1AALDH1A1TSHR
SCHEMBL17396449 0.70 CYP3A4 (0.49) EIF4A1CYP3A4HIF1AALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3164393-A1 FLAVAGLINE DERIVATIVES Pierre Fabre Médicament (FR) 2017-05-10 — — EP disclosed
WO-2016001441-A1 FLAVAGLINE DERIVATIVES PIERRE FABRE MEDICAMENT (FR) 2016-01-07 — — WO disclosed
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