SCHEMBL28169744

SCHEMBL28169744

N#COC(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.55
FUT7 Q11130 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
GAA P10253 1/20 0.55
NFKB1 P19838 1/20 0.55
XDH P47989 1/20 0.55
GFER P55789 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SERPINE1 P05121 10/20 0.53
POLA1 P09884 1/20 0.47
ANTXR2 P58335 1/20 0.47
NSD2 O96028 1/20 0.47
CA12 O43570 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 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
SCHEMBL5569642 0.81 POLB (0.57) POLBKDM4ELMNAFUT7TDP1
SCHEMBL6384522 0.75 TPMT (0.46) KDM4ETDP1CA12CA1CA2
SCHEMBL27939239 0.75 KDM4E (0.67) POLBKDM4ELMNAFUT7TDP1
SCHEMBL29280470 0.75 CA1 (0.39) LMNATDP1CA12ALDH1A1CA1
SCHEMBL1668506 0.75 KDM4E (0.67) POLBKDM4ELMNAFUT7TDP1
SCHEMBL27740352 0.74 KDM4E (0.59) POLBKDM4ELMNAFUT7TDP1
Gallic Acid Methyl Ester SCHEMBL28507408 0.74 KDM4E (0.95) POLBKDM4ELMNAFUT7TDP1
SCHEMBL1322441 0.73 KDM4E (0.64) POLBKDM4ELMNAFUT7TDP1
SCHEMBL28765856 0.73 KDM4E (0.64) POLBKDM4ELMNAFUT7TDP1
SCHEMBL7639031 0.71 KDM4E (0.61) POLBKDM4ELMNAFUT7TDP1

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-104892462-B New noncrystalline methacrylate, its preparation and application 科思创德国股份有限公司 2017-08-22 CN disclosed