SCHEMBL31509674

SCHEMBL31509674

C=CC(=O)OCC[N+](CCOC(=O)C=C)(CCOC(=O)C=C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.58
▸ TSHR P16473 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ TP53 P04637 2/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HCAR2 Q8TDS4 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ AKR1B10 O60218 2/20 0.41
▸ AKR1B1 P15121 2/20 0.41
▸ CHRM4 P08173 4/20 0.39
▸ CHRM1 P11229 4/20 0.39
▸ CHRM3 P20309 4/20 0.39
▸ CHRM2 P08172 3/20 0.38
▸ AKT1 P31749 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL14438898 0.85 THRB (0.54) THRBTSHRALDH1A1TP53HIF1A
Bromide SCHEMBL29236904 0.84 THRB (0.53) THRBTSHRALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL19066923 0.84 THRB (0.53) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL31509633 0.82 THRB (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL1476296 0.80 THRB (0.51) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL40718 0.79 THRB (0.67) THRBTSHRALDH1A1TP53HIF1A
Fluoride Ion SCHEMBL28527581 0.79 THRB (0.50) THRBTSHRALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL29848414 0.79 THRB (0.50) THRBTSHRALDH1A1TP53HIF1A
Bromide SCHEMBL2252458 0.79 THRB (0.50) THRBTSHRALDH1A1TP53HIF1A
Iodide SCHEMBL2252610 0.79 THRB (0.50) THRBTSHRALDH1A1TP53HIF1A

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
WO-2025094827-A1 POLYACID SALT OR MIXTURE THEREOF 東京応化工業株式会社 2025-05-08 — — WO disclosed
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