SCHEMBL3629059

SCHEMBL3629059

COc1cc(C=CC(=O)OCCc2ccc(N)cc2N)ccc1OC(=O)c1ccc(OC(F)(F)C(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.48
CA12 O43570 2/20 0.46
CA4 P22748 2/20 0.46
CA9 Q16790 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TTR P02766 1/20 0.44
ALOX5 P09917 2/20 0.44
CA6 P23280 1/20 0.43
HTR7 P34969 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
APP P05067 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL1564228 1.00 MET (0.48) METCA12CA4CA9CA1
SCHEMBL3806928 0.94 MET (0.43) METCA12CA4CA9CA1
SCHEMBL2135997 0.89 MET (0.42) METCA12CA4CA9CA1
SCHEMBL679370 0.89 MET (0.37) METCA12CA4CA9CA1
SCHEMBL2137177 0.89 MET (0.37) METCA12CA4CA9CA1
SCHEMBL1564188 0.88 MET (0.52) METCA12CA4CA9CA1
SCHEMBL1564242 0.88 CA12 (0.48) METCA12CA4CA9CA1
SCHEMBL1564275 0.87 CA12 (0.49) METCA12CA4CA9CA1
SCHEMBL1563420 0.87 CA12 (0.48) METCA12CA4CA9CA1
SCHEMBL16241100 0.84 CA12 (0.48) METCA12CA4CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142957-A1 METHOD OF UNIFORM AND DEFECT FREE LIQUID CRYSTAL ALIGNING LAYERS Rolic AG (CH) 2010-01-13 EP disclosed
WO-2008119449-A1 METHOD OF UNIFORM AND DEFECT FREE LIQUID CRYSTAL ALIGNING LAYERS ROLIC AG (CH) 2008-10-09 WO disclosed
EP-1966119-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2008-09-10 EP disclosed
WO-2007071091-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2007-06-28 WO disclosed