SCHEMBL22005455

SCHEMBL22005455

COc1ccc(OC(=O)/C=C/c2ccc(O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.77
MEN1 O00255 4/20 0.77
KMT2A Q03164 4/20 0.77
F3 P13726 3/20 0.69
ALDH1A1 P00352 3/20 0.69
P4HB P07237 1/20 0.69
CALM1 P0DP23 1/20 0.69
RAB9A P51151 1/20 0.69
XDH P47989 1/20 0.69
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
TYR P14679 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
STAT3 P40763 1/20 0.66
MMP1 P03956 1/20 0.64
MMP2 P08253 1/20 0.64
MMP9 P14780 1/20 0.64

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
SCHEMBL16968117 1.00 MAPT (0.77) MAPTMEN1KMT2AF3ALDH1A1
SCHEMBL14877836 1.00 MAPT (0.77) MAPTMEN1KMT2AF3ALDH1A1
SCHEMBL18121572 0.93 KMT2A (0.76) MAPTMEN1KMT2AF3P4HB
SCHEMBL14877838 0.92 MAPT (0.76) MAPTMEN1KMT2AF3ALDH1A1
SCHEMBL15014187 0.91 MAPT (0.66) MAPTMEN1KMT2AF3ALDH1A1
SCHEMBL15014174 0.91 MAPT (0.66) MAPTMEN1KMT2AF3ALDH1A1
SCHEMBL29009143 0.91 CA12 (0.67) MAPTMEN1KMT2AF3ALDH1A1
SCHEMBL22490432 0.88 KMT2A (0.69) MAPTMEN1KMT2AF3P4HB
SCHEMBL27220368 0.88 S100B (0.72) MAPTMEN1KMT2AF3ALDH1A1
SCHEMBL27220166 0.88 S100B (0.72) MAPTMEN1KMT2AF3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200157426-A1 LIQUID CRYSTAL COMPOSITE AND LIQUID CRYSTAL DIMMING DEVICE JNC CORPORATION (JP) 2020-05-21 US disclosed