SCHEMBL28654975

SCHEMBL28654975

O=C(O)c1cc(OCc2ccccc2)cc2oc(-c3ccccc3)c(-c3ccccc3)c12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.53
▸ ABCB1 P08183 1/20 0.53
▸ SLC16A3 O15427 1/20 0.50
▸ PPARG P37231 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PIN1 Q13526 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MCL1 Q07820 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ KDM5A P29375 1/20 0.44
▸ ANO1 Q5XXA6 2/20 0.44
▸ PTGER4 P35408 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ CREB1 P16220 1/20 0.43

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
SCHEMBL30023071 0.85 DHODH (0.51) SLC16A3MCL1ANO1PTGER4
SCHEMBL28654877 0.83 ADORA3 (0.52) MAPTABCB1PPARGMEN1KMT2A
SCHEMBL28675671 0.79 MEN1 (0.62) MAPTABCB1PPARGMEN1KMT2A
SCHEMBL28659460 0.78 MEN1 (0.49) MAPTABCB1PPARGMEN1KMT2A
SCHEMBL28680692 0.77 MEN1 (0.48) MAPTABCB1PPARGMEN1KMT2A
SCHEMBL28659222 0.77 MEN1 (0.48) MAPTABCB1PPARGMEN1KMT2A
SCHEMBL28659185 0.77 MEN1 (0.48) MAPTABCB1PPARGMEN1KMT2A
SCHEMBL28668413 0.76 MEN1 (0.47) MAPTABCB1PPARGMEN1KMT2A
SCHEMBL31031138 0.74 ADORA3 (0.75) MAPTABCB1PPARGMEN1KMT2A
SCHEMBL28663886 0.74 DHODH (0.41) ABCB1MEN1KMT2AHSP90AA1

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
CN-113754619-B Method for preparing polysubstituted benzofuran-4-formic acid compound under catalysis of ruthenium 广州大学 2022-12-20 — — CN disclosed
CN-113754619-A Method for preparing polysubstituted benzofuran-4-formic acid compound under catalysis of ruthenium 广州大学 2021-12-07 — — CN disclosed
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