SCHEMBL17879694

SCHEMBL17879694

O=C(O)CN(CC(=O)OCc1ccccc1)Cc1cccc(CN(CC(=O)O)CC(=O)OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.55
CA2 P00918 8/20 0.55
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA4 P22748 2/20 0.51
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEP1B Q16820 1/20 0.42
BCHE P06276 1/20 0.41
GYS1 P13807 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL17879683 0.89 CA1 (0.66) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL17879693 0.89 CA1 (0.66) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL13589983 0.86 CA1 (0.68) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL3093075 0.86 CA1 (0.68) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL7571319 0.85 ALDH1A1 (0.59) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL9162085 0.84 CA1 (0.68) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL7759713 0.83 MEP1B (0.51) KMT2ATDP1MEP1BGYS1
SCHEMBL17879692 0.83 CA1 (0.60) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL17879702 0.82 CA1 (0.62) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL339168 0.80 ALDH1A1 (0.61) CA1CA2ALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10001584-B2 Optical film, and polarizing plate and liquid crystal display device that use this optical film FUJIFILM CORPORATION (JP) 2018-06-19 US disclosed
US-10001584-B2 Optical film, and polarizing plate and liquid crystal display device that use this optical film FUJIFILM CORPORATION (JP) 2018-06-19 US disclosed
US-20160187537-A1 OPTICAL FILM, AND POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE THAT USE THIS OPTICAL FILM FUJIFILM CORPORATION (JP) 2016-06-30 US disclosed
US-20160187537-A1 OPTICAL FILM, AND POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE THAT USE THIS OPTICAL FILM FUJIFILM CORPORATION (JP) 2016-06-30 US disclosed