SCHEMBL24180238

SCHEMBL24180238

COC(=O)C1C(O)C2c3c(OC)cc(OCCCCN)cc3OC2[C@@H]1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EIF4A1 P60842 12/20 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
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ F2 P00734 1/20 0.32

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
SCHEMBL24180189 0.95 EIF4A1 (0.39) EIF4A1CYP3A4ALDH1A1HIF1ATSHR
SCHEMBL24426898 0.94 EIF4A1 (0.35) EIF4A1CYP3A4ALDH1A1HIF1ATSHR
SCHEMBL24180246 0.93 PPARG (0.34) EIF4A1CYP3A4ALDH1A1HIF1ATSHR
SCHEMBL24180152 0.92 CYP3A4 (0.33) EIF4A1CYP3A4ALDH1A1HIF1ATSHR
SCHEMBL24180190 0.92 EIF4A1 (0.38) EIF4A1CYP3A4ALDH1A1HIF1ATSHR
SCHEMBL24426990 0.90 EIF4A1 (0.38) EIF4A1CYP3A4ALDH1A1HIF1ATSHR
SCHEMBL24180234 0.86 MEN1 (0.33) CYP3A4ALDH1A1TSHRCYP2C19MAPK1
SCHEMBL24426987 0.85 PNLIP (0.38) EIF4A1CYP3A4ALDH1A1HIF1ATSHR
SCHEMBL24426912 0.83 AGTR1 (0.37) EIF4A1CYP3A4ALDH1A1HIF1ATSHR
SCHEMBL24180202 0.81 ALDH1A1 (0.34) ALDH1A1

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-3998257-A1 FLAVAGLINE DERIVATIVES PIERRE FABRE MEDICAMENT (FR) 2022-05-18 — — EP disclosed
EP-3418273-B1 FLAVAGLINE DERIVATIVES PF MEDICAMENT (FR) 2022-01-12 — — EP disclosed
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