SCHEMBL28669959

SCHEMBL28669959

Cc1c(O)cc(C(=O)O)c2c(-c3ccccc3)c(-c3ccccc3)oc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAOA P21397 1/20 0.40
▸ PTPN22 Q9Y2R2 3/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ PTPRC P08575 2/20 0.40
▸ PTPN9 P43378 2/20 0.40
▸ PTPN11 Q06124 2/20 0.40
▸ CA12 O43570 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.39
▸ ACMSD Q8TDX5 3/20 0.39
▸ HNF4A P41235 2/20 0.39
▸ MCL1 Q07820 2/20 0.39
▸ DHFR P00374 1/20 0.39
▸ ABCB1 P08183 2/20 0.39

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
SCHEMBL28668792 0.84 MEN1 (0.42) MEN1HSP90AA1KMT2APTPN22PTPRC
SCHEMBL28658459 0.75 ALDH1A1 (0.53) ABCB1BCL9CTNNB1KDM4EGAA
SCHEMBL28668413 0.75 MEN1 (0.47) MEN1HSP90AA1KMT2AMAOAPTPN22
SCHEMBL28675671 0.73 MEN1 (0.62) MEN1HSP90AA1KMT2AMAOAPTPN22
SCHEMBL28659460 0.71 MEN1 (0.49) MEN1HSP90AA1KMT2AMAOAPTPN22
SCHEMBL28659185 0.70 MEN1 (0.48) MEN1HSP90AA1KMT2AMAOAPTPN22
SCHEMBL28680692 0.70 MEN1 (0.48) MEN1HSP90AA1KMT2AMAOAPTPN22
SCHEMBL28659222 0.70 MEN1 (0.48) MEN1HSP90AA1KMT2AMAOAPTPN22
SCHEMBL28654877 0.69 ADORA3 (0.52) MEN1HSP90AA1KMT2AMAOAPTPN22
SCHEMBL10550546 0.67 LMNA (0.51) MEN1KMT2ACA12CA9MCL1

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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