SCHEMBL3633052

SCHEMBL3633052

Nc1ccc(CCOC(=O)C=Cc2ccc(OC(=O)c3ccc(OC(F)(F)F)cc3)cc2)c(N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALOX5 P09917 2/20 0.39
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
CA4 P22748 3/20 0.38
CA6 P23280 3/20 0.38
CA5A P35218 3/20 0.38
CA7 P43166 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA5B Q9Y2D0 3/20 0.38
HDAC1 Q13547 1/20 0.37
CYP2D6 P10635 1/20 0.36
AKR1B10 O60218 2/20 0.36
AKR1B1 P15121 2/20 0.36
MAOB P27338 1/20 0.36
CA2 P00918 1/20 0.36
APP P05067 1/20 0.35

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
SCHEMBL1564285 1.00 MET (0.39) METKDM4EMAPTALOX5CA12
SCHEMBL1655918 0.93 MET (0.40) METKDM4EMAPTALOX5CA12
SCHEMBL679370 0.93 MET (0.37) METKDM4EMAPTALOX5CA12
SCHEMBL2137177 0.93 MET (0.37) METKDM4EMAPTALOX5CA12
SCHEMBL2136564 0.92 MET (0.38) METKDM4EMAPTALOX5CA12
SCHEMBL1564118 0.91 ALOX5 (0.40) METKDM4EMAPTALOX5CA12
SCHEMBL15771811 0.91 ALOX5 (0.40) METKDM4EMAPTALOX5CA12
SCHEMBL1564456 0.90 MAPT (0.40) METKDM4EMAPTCA12CA1
SCHEMBL28650120 0.90 MAPT (0.40) METKDM4EMAPTCA12CA1
SCHEMBL13720132 0.89 CA12 (0.41) METKDM4EMAPTALOX5CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016156079-A1 PHOTOALIGNMENT COMPOSITION ROLIC AG (CH) 2016-10-06 WO disclosed
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