SCHEMBL21264360

SCHEMBL21264360

COC(=O)c1cc(OC)c(O)c(-c2cc(C(=O)OS)cc(O)c2O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.56
▸ XDH P47989 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ GFER P55789 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ FUT7 Q11130 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ PTGS2 P35354 1/20 0.51
▸ PTPN11 Q06124 2/20 0.49
▸ CNR2 P34972 2/20 0.48
▸ CA12 O43570 3/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA7 P43166 3/20 0.42
▸ CA9 Q16790 3/20 0.42

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
SCHEMBL22824418 0.93 KDM4E (0.65) LMNAXDHKDM4EGAAPOLB
SCHEMBL17655667 0.86 KDM4E (0.57) LMNAXDHKDM4EGAAPOLB
SCHEMBL30594704 0.84 KDM4E (0.77) LMNAXDHKDM4EGAAPOLB
SCHEMBL1465618 0.84 KDM4E (0.77) LMNAXDHKDM4EGAAPOLB
SCHEMBL19272079 0.80 LMNA (0.68) LMNAXDHKDM4EGAAPOLB
SCHEMBL22824549 0.79 PTGS2 (0.83) LMNAKDM4EPOLBFUT7TDP1
SCHEMBL29913216 0.79 PTGS2 (0.83) LMNAKDM4EPOLBFUT7TDP1
SCHEMBL24613986 0.79 KDM4E (0.67) LMNAXDHKDM4EGAAPOLB
Syringate SCHEMBL159392 0.78 CA12 (0.67) LMNAXDHKDM4EGAAPOLB
SCHEMBL20693295 0.77 TSHR (0.48) LMNAXDHKDM4EGAAPOLB

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-2019155169-A1 DIFUNCTIONAL BIPHENYL COMPOUNDS, PREPARATION, AND USES ARIANEGROUP SAS (FR) 2019-08-15 — — WO disclosed
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