SCHEMBL31463102

SCHEMBL31463102

O=C(/C=C/c1cccc(Br)c1)c1ccc(OCCCBr)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 14/20 0.55
▸ ACHE P22303 13/20 0.55
▸ BRAF P15056 1/20 0.54
▸ KDR P35968 1/20 0.54
▸ PPARA Q07869 1/20 0.53
▸ MAOB P27338 1/20 0.52
▸ RELA Q04206 1/20 0.52

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
SCHEMBL29014275 1.00 BCHE (0.55) BCHEACHEBRAFKDRPPARA
SCHEMBL29014198 0.98 BCHE (0.57) BCHEACHEBRAFKDR
SCHEMBL25233299 0.88 PTPN1 (0.56) BCHEACHEBRAFKDRPPARA
SCHEMBL30382732 0.88 PTPN1 (0.56) BCHEACHEBRAFKDRPPARA
SCHEMBL29014230 0.87 MAOA (0.60) BCHEACHEPPARAMAOB
SCHEMBL30698287 0.87 MAOB (0.60) BCHEACHEPPARAMAOB
SCHEMBL29014174 0.87 BCHE (0.54) BCHEACHEKDRPPARAMAOB
SCHEMBL3001731 0.86 BCHE (0.71) BCHEACHEPPARAMAOB
SCHEMBL3001730 0.86 BCHE (0.71) BCHEACHEPPARAMAOB
SCHEMBL29014245 0.86 MAOB (0.73) BCHEACHEMAOB

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-119954731-A Chalcone derivative containing 4-quinazolinone structure, and preparation method and application thereof 黔南州烟草公司平塘县分公司 2025-05-09 — — CN disclosed
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