SCHEMBL30022919

SCHEMBL30022919

Cc1cc(C(=O)O)c2c(-c3ccc(OC(F)(F)F)cc3)c(-c3ccc(OC(F)(F)F)cc3)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN22 Q9Y2R2 8/20 0.50
▸ PTPRC P08575 3/20 0.46
▸ PTPN2 P17706 3/20 0.46
▸ PTPN1 P18031 3/20 0.46
▸ PTPN6 P29350 3/20 0.46
▸ PTPN9 P43378 3/20 0.46
▸ DUSP3 P51452 3/20 0.46
▸ PTPN11 Q06124 3/20 0.46
▸ EPM2A O95278 1/20 0.44
▸ PTPRG P23470 1/20 0.44
▸ ACP1 P24666 1/20 0.44
▸ PTPN7 P35236 1/20 0.44
▸ PTPN13 Q12923 1/20 0.44
▸ DUSP22 Q9NRW4 1/20 0.44
▸ CDC14A Q9UNH5 1/20 0.44
▸ PTGER4 P35408 1/20 0.43
▸ SCN10A Q9Y5Y9 3/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ AURKA O14965 1/20 0.40

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
SCHEMBL30022887 0.86 ALDH1A1 (0.50) —
SCHEMBL30023062 0.85 MAPT (0.46) PTPN22PTPRCPTPN2PTPN1PTPN6
SCHEMBL30023487 0.83 DHODH (0.45) DHODH
SCHEMBL28668413 0.81 MEN1 (0.47) PTPN22PTPRCPTPN2PTPN1PTPN6
SCHEMBL30020913 0.81 MAPT (0.48) —
SCHEMBL28677868 0.81 KDM4E (0.45) AKR1C2
SCHEMBL30023247 0.81 KDM4E (0.45) AKR1C2
SCHEMBL28680766 0.81 KDM4E (0.45) AKR1C2
SCHEMBL30023283 0.81 KDM4E (0.45) AKR1C2
SCHEMBL30022975 0.81 PTGS2 (0.41) PTPN1

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