SCHEMBL24426990

SCHEMBL24426990

COC(=O)CCCOc1cc(OC)c2c(c1)OC1C2C(O)C(C(=O)OC)[C@H]1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EIF4A1 P60842 8/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PDE4D Q08499 3/20 0.35
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL24180190 0.90 EIF4A1 (0.38) EIF4A1CYP3A4ALDH1A1HIF1ATSHR
SCHEMBL24180238 0.90 EIF4A1 (0.38) EIF4A1CYP3A4ALDH1A1HIF1ATSHR
SCHEMBL24180189 0.89 EIF4A1 (0.39) EIF4A1CYP3A4ALDH1A1HIF1ATSHR
SCHEMBL24426898 0.85 EIF4A1 (0.35) EIF4A1CYP3A4ALDH1A1HIF1ATSHR
SCHEMBL24426912 0.83 AGTR1 (0.37) EIF4A1CYP3A4ALDH1A1HIF1ATSHR
SCHEMBL24180246 0.82 PPARG (0.34) EIF4A1CYP3A4ALDH1A1HIF1ATSHR
SCHEMBL24180152 0.81 CYP3A4 (0.33) EIF4A1CYP3A4ALDH1A1HIF1ATSHR
SCHEMBL24426987 0.81 PNLIP (0.38) EIF4A1CYP3A4ALDH1A1HIF1ATSHR
SCHEMBL24180267 0.78 EIF4A1 (0.44) EIF4A1CYP3A4ALDH1A1HIF1ATSHR
SCHEMBL24180234 0.75 MEN1 (0.33) CYP3A4ALDH1A1TSHRCYP2C19HPGD

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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