SCHEMBL6821278

SCHEMBL6821278

COC(=O)/C=C/c1ccc(OC)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.66
▸ FDPS P14324 1/20 0.65
▸ TUBB1 Q9H4B7 7/20 0.64
▸ KDM4E B2RXH2 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ JAK2 O60674 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ TTR P02766 1/20 0.58
▸ APP P05067 1/20 0.58
▸ NFE2L2 Q16236 1/20 0.56
▸ PTPN1 P18031 1/20 0.55
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ TYR P14679 1/20 0.54
▸ CA7 P43166 1/20 0.54
▸ CA9 Q16790 1/20 0.54

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
SCHEMBL6821280 1.00 EPHX2 (0.66) EPHX2FDPSTUBB1KDM4EALDH1A1
SCHEMBL584263 0.86 KDM4E (0.73) TUBB1KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL29090925 0.86 TUBB1 (0.66) FDPSTUBB1KDM4EALDH1A1SMN1; SMN2
SCHEMBL584262 0.86 KDM4E (0.73) TUBB1KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL30548412 0.86 TUBB1 (0.66) FDPSTUBB1KDM4EALDH1A1SMN1; SMN2
SCHEMBL24164775 0.86 TUBB1 (0.66) FDPSTUBB1KDM4EALDH1A1SMN1; SMN2
SCHEMBL20158247 0.85 TUBB1 (0.59) EPHX2FDPSTUBB1KDM4EALDH1A1
SCHEMBL30594189 0.85 FDPS (0.70) FDPSTUBB1TTRCA12CA1
SCHEMBL3678457 0.85 FDPS (0.70) FDPSTUBB1TTRCA12CA1
SCHEMBL30487467 0.85 TUBB1 (0.59) EPHX2FDPSTUBB1KDM4EALDH1A1

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
WO-2004046122-A2 BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-06-03 — — WO disclosed
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