SCHEMBL3457401

SCHEMBL3457401

NC(=Cc1ccccc1O)C(O)C(N)=Cc1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA2 P00918 7/20 0.44
CA12 O43570 6/20 0.44
CA9 Q16790 5/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
ALDH1A1 P00352 2/20 0.42
TRPA1 O75762 1/20 0.41
NFKB1 P19838 2/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
JUN P05412 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CTRC Q99895 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL6865789 0.80 KDM4E (0.42) TRIM24TRIM33KDM4EGAAL3MBTL1
SCHEMBL4669668 0.80 KDM4E (0.42) TRIM24TRIM33KDM4EGAAL3MBTL1
SCHEMBL4669664 0.80 KDM4E (0.42) TRIM24TRIM33KDM4EGAAL3MBTL1
SCHEMBL247861 0.78 TRIM24 (0.52) TRIM24TRIM33KDM4EGAAL3MBTL1
SCHEMBL2037793 0.78 TRIM24 (0.52) TRIM24TRIM33KDM4EGAAL3MBTL1
SCHEMBL8982379 0.78 TRIM24 (0.52) TRIM24TRIM33KDM4EGAAL3MBTL1
SCHEMBL49775 0.76 TRPA1 (0.43) TRIM24TRIM33KDM4EGAAL3MBTL1
SCHEMBL3690222 0.76 MAPT (0.40) TRIM24TRIM33KDM4EGAAL3MBTL1
SCHEMBL3690223 0.76 MAPT (0.40) TRIM24TRIM33KDM4EGAAL3MBTL1
SCHEMBL1697046 0.76 TRPA1 (0.43) TRIM24TRIM33KDM4EGAAL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266954-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues Draximage, Inc. (CA) 2010-12-29 EP disclosed
EP-2266953-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues Draximage, Inc. (CA) 2010-12-29 EP disclosed