SCHEMBL24180246

SCHEMBL24180246

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.34
▸ CYP3A4 P08684 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ FABP7 O15540 1/20 0.33
▸ FABP5 Q01469 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ EIF4A1 P60842 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ABHD10 Q9NUJ1 1/20 0.31

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
SCHEMBL24180152 0.94 CYP3A4 (0.33) CYP3A4ALDH1A1TSHRCYP2C19HPGD
SCHEMBL24180238 0.93 EIF4A1 (0.38) CYP3A4ALDH1A1TSHRCYP2C19HPGD
SCHEMBL24180234 0.88 MEN1 (0.33) CYP3A4ALDH1A1TSHRCYP2C19HPGD
SCHEMBL24180189 0.87 EIF4A1 (0.39) CYP3A4ALDH1A1TSHRCYP2C19HPGD
SCHEMBL24426898 0.87 EIF4A1 (0.35) CYP3A4ALDH1A1TSHRCYP2C19KDM4E
SCHEMBL24426987 0.86 PNLIP (0.38) CYP3A4ALDH1A1TSHRCYP2C19HPGD
SCHEMBL24180190 0.85 EIF4A1 (0.38) CYP3A4ALDH1A1TSHRCYP2C19HPGD
SCHEMBL24426990 0.82 EIF4A1 (0.38) CYP3A4ALDH1A1TSHRCYP2C19HPGD
SCHEMBL24180202 0.81 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL24426991 0.81 CYP19A1 (0.34) 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-3418273-B1 FLAVAGLINE DERIVATIVES PF MEDICAMENT (FR) 2022-01-12 — — EP disclosed
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