SCHEMBL28677778

SCHEMBL28677778

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN22 Q9Y2R2 8/20 0.44
▸ PTPRC P08575 7/20 0.44
▸ PTPN9 P43378 7/20 0.44
▸ PTPN11 Q06124 7/20 0.44
▸ PTPN2 P17706 6/20 0.44
▸ PTPN1 P18031 6/20 0.44
▸ PTPN6 P29350 6/20 0.44
▸ DUSP3 P51452 6/20 0.44
▸ EPM2A O95278 2/20 0.44
▸ PTPRG P23470 2/20 0.44
▸ ACP1 P24666 2/20 0.44
▸ PTPN7 P35236 2/20 0.44
▸ PTPN13 Q12923 2/20 0.44
▸ DUSP22 Q9NRW4 2/20 0.44
▸ CDC14A Q9UNH5 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAPT P10636 2/20 0.40
▸ ACLY P53396 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
SCHEMBL28659460 0.82 MEN1 (0.49) PTPN22PTPRCPTPN9PTPN11PTPN2
SCHEMBL30023062 0.81 MAPT (0.46) PTPN22PTPRCPTPN9PTPN11PTPN2
SCHEMBL28680692 0.81 MEN1 (0.48) PTPN22PTPRCPTPN9PTPN11PTPN2
SCHEMBL28659222 0.81 MEN1 (0.48) PTPN22PTPRCPTPN9PTPN11PTPN2
SCHEMBL28659185 0.81 MEN1 (0.48) PTPN22PTPRCPTPN9PTPN11PTPN2
SCHEMBL28675671 0.81 MEN1 (0.62) PTPN22PTPRCPTPN9PTPN11PTPN2
SCHEMBL28668413 0.80 MEN1 (0.47) PTPN22PTPRCPTPN9PTPN11PTPN2
SCHEMBL28654877 0.76 ADORA3 (0.52) PTPN22PTPN11PTPN6MEN1HSP90AA1
SCHEMBL28588384 0.75 ALDH1A1 (0.43) MEN1KMT2AMAPTACLYTP53
SCHEMBL6027598 0.73 RXRA (0.55) MAPTACLYALDH1A1RXRARXRB

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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