SCHEMBL24180259

SCHEMBL24180259

COc1cc(OCCCCN)cc2c1C1C(OC)C(NC=O)[C@@H](c3ccccc3)C1O2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ F2 P00734 3/20 0.32
▸ CYP19A1 P11511 2/20 0.32
▸ DRD2 P14416 3/20 0.31
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL24426965 0.86 CD274 (0.32) ALDH1A1CYP3A4KDM4EHPGDMAPK1
SCHEMBL24180234 0.78 MEN1 (0.33) ALDH1A1CYP3A4KDM4EHPGDMAPK1
SCHEMBL24180238 0.78 EIF4A1 (0.38) ALDH1A1CYP3A4HPGDMAPK1F2
SCHEMBL24180246 0.77 PPARG (0.34) ALDH1A1CYP3A4KDM4EHPGDMAPK1
SCHEMBL24426931 0.77 ALDH1A1 (0.34) ALDH1A1CYP3A4KDM4EHPGDMAPK1
SCHEMBL24180152 0.77 CYP3A4 (0.33) ALDH1A1CYP3A4KDM4EHPGDMAPK1
SCHEMBL24426924 0.76 CYP3A4 (0.40) ALDH1A1CYP3A4KDM4EHPGDMAPK1
SCHEMBL24180282 0.76 CYP3A4 (0.40) ALDH1A1CYP3A4KDM4EHPGDMAPK1
SCHEMBL24180202 0.75 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10DRD2
SCHEMBL24426991 0.74 CYP19A1 (0.34) ALDH1A1CYP3A4KDM4EHPGDMAPK1

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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