SCHEMBL269462

SCHEMBL269462

COC(=O)C=Cc1ccc(OCN)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
TYR P14679 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
CA14 Q9ULX7 1/20 0.60
GSK3B P49841 2/20 0.54
PTPN1 P18031 1/20 0.53
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
TTR P02766 1/20 0.51
APP P05067 1/20 0.51
FDPS P14324 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
F3 P13726 1/20 0.49

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
SCHEMBL12367757 0.88 CA12 (0.57) CA12CA1CA2TYRCA7
SCHEMBL2775098 0.85 MAOB (0.64) CA12CA1CA2TYRCA7
SCHEMBL14634609 0.85 CA12 (0.62) CA12CA1CA2TYRCA7
SCHEMBL2775096 0.85 MAOB (0.64) CA12CA1CA2TYRCA7
SCHEMBL14634610 0.85 CA12 (0.62) CA12CA1CA2TYRCA7
SCHEMBL30765539 0.84 CA12 (0.60) CA12CA1CA2TYRCA7
SCHEMBL15091406 0.84 CA12 (0.60) CA12CA1CA2TYRCA7
SCHEMBL15091403 0.84 CA12 (0.60) CA12CA1CA2TYRCA7
SCHEMBL13958437 0.83 CA12 (0.58) CA12CA1CA2TYRCA7
SCHEMBL8406886 0.83 CA12 (0.58) CA12CA1CA2TYRCA7

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-8134666-B2 Liquid crystal display device ZEON CORPORATION (JP) 2012-03-13 US disclosed
US-20100007822-A1 LIQUID CRYSTAL DISPLAY DEVICE ITADANI MOTOHIRO 2010-01-14 US disclosed