SCHEMBL30698337

SCHEMBL30698337

O=C(C=Cc1cccc(Cl)c1)c1ccc(OCCCCBr)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.60
▸ BCHE P06276 16/20 0.56
▸ ACHE P22303 14/20 0.56
▸ MAOA P21397 1/20 0.54

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
SCHEMBL30698287 0.98 MAOB (0.60) MAOBBCHEACHEMAOA
SCHEMBL25243102 0.87 MAOB (0.62) MAOBBCHEACHEMAOA
SCHEMBL30383329 0.87 MAOB (0.62) MAOBBCHEACHEMAOA
SCHEMBL29014198 0.87 BCHE (0.57) BCHEACHE
SCHEMBL29014203 0.86 MAOA (0.60) MAOBBCHEACHEMAOA
SCHEMBL29014197 0.86 BCHE (0.56) BCHEACHE
SCHEMBL29014219 0.85 MAOB (0.70) MAOBBCHEACHEMAOA
SCHEMBL3001431 0.85 BCHE (0.73) BCHEACHE
SCHEMBL3001434 0.85 BCHE (0.73) BCHEACHE
SCHEMBL29014261 0.85 MAOB (0.73) MAOBBCHEACHE

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
CN-117343024-A Chalcone derivative containing benzoxazole structure and preparation method and application thereof 贵州大学 2024-01-05 — — CN disclosed
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