SCHEMBL30023487

SCHEMBL30023487

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.45
▸ PTGS2 P35354 5/20 0.41
▸ ANO1 Q5XXA6 2/20 0.41
▸ ABCB1 P08183 1/20 0.40
▸ GPR35 Q9HC97 1/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ PTGS1 P23219 1/20 0.36

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
SCHEMBL28668413 0.88 MEN1 (0.47) DHODHPTGS2ABCB1SMN1; SMN2MAPT
SCHEMBL30022975 0.87 PTGS2 (0.41) PTGS2ANO1GPR35SMN1; SMN2MAPT
SCHEMBL30023062 0.86 MAPT (0.46) PTGS2ANO1GPR35MAPT
SCHEMBL30022887 0.85 ALDH1A1 (0.50) ABCB1GPR35SMN1; SMN2MAPT
SCHEMBL30022919 0.83 PTPN22 (0.50) DHODH
SCHEMBL30020913 0.83 MAPT (0.48) SMN1; SMN2MAPT
SCHEMBL30023383 0.81 RARB (0.46) DHODHABCB1MAPT
SCHEMBL30023247 0.80 KDM4E (0.45) ANO1ABCB1GPR35SMN1; SMN2MAPT
SCHEMBL28677868 0.80 KDM4E (0.45) ANO1ABCB1GPR35SMN1; SMN2MAPT
SCHEMBL30023283 0.80 KDM4E (0.45) ANO1ABCB1GPR35SMN1; SMN2MAPT

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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