SCHEMBL3258581

SCHEMBL3258581

C=C(C)C(=O)OCCNC(=O)OCCCCc1ccc(N=Nc2cc(C(=O)c3ccccc3)c(O)cc2O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCD Q05655 1/20 0.33
NAAA Q02083 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL3258579 1.00 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4BCL2
SCHEMBL3196968 0.94 PPARA (0.34) CHRNB2CHRNB4CHRNA3CHRNA4BCL2
SCHEMBL1803270 0.94 PPARA (0.34) CHRNB2CHRNB4CHRNA3CHRNA4BCL2
SCHEMBL13269910 0.94 PPARA (0.34) CHRNB2CHRNB4CHRNA3CHRNA4BCL2
SCHEMBL13269909 0.94 PPARA (0.34) CHRNB2CHRNB4CHRNA3CHRNA4BCL2
SCHEMBL373404 0.90 PPARG (0.38) POLBAPEX1HTTTDP1PRKCG
SCHEMBL14365358 0.88 PPARA (0.33) POLBHTTTDP1NPSR1PPARG
SCHEMBL373648 0.86 L3MBTL1 (0.39) HTTNPSR1PPARGPPARAALDH1A1
SCHEMBL16693261 0.86 L3MBTL1 (0.39) HTTNPSR1PPARGPPARAALDH1A1
SCHEMBL3184503 0.86 ESRRG (0.33) POLBHTTNPSR1PPARAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867683-B1 NOVEL POLYMERIZABLE DYE AND OPHTHALMIC LENS CONTAINING THE SAME MENICON CO LTD (JP) 2012-10-17 EP claimed
EP-1867683-B1 NOVEL POLYMERIZABLE DYE AND OPHTHALMIC LENS CONTAINING THE SAME MENICON CO LTD (JP) 2012-10-17 EP disclosed
CN-101151332-B Novel polymerizable dye and ophthalmic lens containing the same MENICON CO LTD 2010-12-08 CN disclosed
US-7662937-B2 Polymerizable dye and ophthalmic lens containing the same MENICON CO., LTD. (JP) 2010-02-16 US disclosed
US-20090082553-A1 Novel Polymerizable Dye and Ophthalmic Lens Containing the Same MENICON CO., LTD. (JP) 2009-03-26 US disclosed
CN-101151332-A Novel polymerizable dye and ophthalmic lens containing the same MENICON CO LTD (JP) 2008-03-26 CN disclosed
EP-1867683-A1 NOVEL POLYMERIZABLE DYE AND OPHTHALMIC LENS CONTAINING THE SAME MENICON CO., LTD. (JP) 2007-12-19 EP disclosed