SCHEMBL9755080

SCHEMBL9755080

CC(=O)N(I)c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 1/20 0.50
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ PTGS2 P35354 2/20 0.48
▸ CA12 O43570 1/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ RECQL P46063 2/20 0.48
▸ MCL1 Q07820 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ KDR P35968 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CASP7 P55210 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46

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
SCHEMBL26800 0.86 ALDH1A1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL7858891 0.85 CHUK (0.41) CSNK2A1CA1CA2PTGS2CA12
SCHEMBL130505 0.78 CSNK2A1 (0.57) CSNK2A1CA1CA2PTGS2CA12
SCHEMBL727925 0.74 MCL1 (0.55) CSNK2A1CA1CA2PTGS2CA12
SCHEMBL3742173 0.74 CSNK2A1 (0.67) CSNK2A1CA1CA2PTGS2CA12
SCHEMBL1520808 0.74 MEN1 (0.61) CSNK2A1CA1CA2PTGS2CA12
SCHEMBL4873905 0.72 TSHR (0.50) CA1CA2CA12CA7CA9
SCHEMBL10865352 0.71 ALDH1A1 (0.45) CA1CA2CA12CA7CA9
SCHEMBL28810732 0.70 MEN1 (0.60) CSNK2A1CA1CA2PTGS2CA12
SCHEMBL15965500 0.70 KDM4C (0.51) CSNK2A1CA1CA2PTGS2CA12

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-1991005605-A1 CYCLODEXTRIN LABELS FOR IMMUNOASSAY AND BIOCHEMICAL ANALYSIS KOSAK KENNETH M (US) 1991-05-02 — — WO disclosed
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