SCHEMBL3841565

SCHEMBL3841565

C#CCOc1ccc(C23CC4(c5ccc(OCC#C)cc5)CC(c5ccc(OCC#C)cc5)(C2)CC(C25CC6(c7ccc(OCC#C)cc7)CC(c7ccc(OCC#C)cc7)(CC(c7ccc(OCC#C)cc7)(C6)C2)C5)(C3)C4)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.44
CA4 P22748 4/20 0.44
CA9 Q16790 4/20 0.44
CA1 P00915 2/20 0.44
GSTP1 P09211 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
MAOA P21397 8/20 0.42
MAOB P27338 8/20 0.42
PTGS2 P35354 2/20 0.42
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MDH2 P40926 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL3841811 0.94 MAOB (0.43) CA12CA4CA9CA1GSTP1
SCHEMBL3848124 0.89 MEN1 (0.39) CA12CA4CA9CA1GSTP1
SCHEMBL3841779 0.88 CA12 (0.38) CA12CA4CA9CA1GSTP1
SCHEMBL3842296 0.86 ESR1 (0.46) MEN1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL3841244 0.85 MEN1 (0.40) CA12CA4CA9CA1GSTP1
SCHEMBL3845028 0.81 ESR1 (0.52) MEN1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL3842591 0.81 ESR1 (0.46) CA12CA4CA9CA1GSTP1
SCHEMBL3853806 0.79 ESR1 (0.46) MEN1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL3845604 0.78 MAOB (0.37) CA12CA4CA9CA1GSTP1
SCHEMBL5704167 0.77 CA12 (0.63) CA12CA4CA9CA1GSTP1

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
US-20090318610-A1 ORGANIC INSULATING MATERIALS, VARNISHES FOR ORGANIC INSULATING FILM EMPLOYING THEM, ORGANIC INSULATING FILMS AND SEMICONDUCTOR DEVICES SUMITOMO BAKELITE CO., LTD (JP) 2009-12-24 US disclosed
EP-2117009-A1 ORGANIC INSULATING MATERIAL, VARNISH FOR ORGANIC INSULATING FILM USING THE SAME, ORGANIC INSULATING FILM AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Co., Ltd. (JP) 2009-11-11 EP disclosed