SCHEMBL17072107

SCHEMBL17072107

CC1(C)OB(c2ccc(OCCCOCc3ccccc3)c(F)c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.43
LIPG Q9Y5X9 10/20 0.40
LPL P06858 9/20 0.40
ROCK1 Q13464 1/20 0.39
LTA4H P09960 1/20 0.34
EGFR P00533 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
KCNA3 P22001 1/20 0.33
KCNA5 P22460 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL24058035 0.88 DGAT1 (0.51) DGAT1LIPGLPLROCK1EGFR
SCHEMBL20361801 0.86 LIPG (0.43) DGAT1LIPGLPLROCK1
SCHEMBL17081762 0.83 LPL (0.44) LIPGLPLROCK1EGFR
SCHEMBL12982927 0.82 ROCK1 (0.48) DGAT1LIPGLPLROCK1KEAP1
SCHEMBL3515052 0.79 DGAT1 (0.56) DGAT1LIPGLPLKEAP1NFE2L2
SCHEMBL20294856 0.79 DGAT1 (0.55) DGAT1LIPGLPLTDP1L3MBTL1
SCHEMBL20361206 0.78 LIPG (0.46) DGAT1LIPGLPLROCK1
SCHEMBL31008257 0.78 PIK3CG (0.41) DGAT1LIPGLPLMAPT
SCHEMBL29135246 0.78 PIK3CG (0.41) DGAT1LIPGLPLMAPT
SCHEMBL1331278 0.78 LPL (0.42) DGAT1LIPGLPLROCK1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2682448-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-04-20 EP disclosed
US-9133395-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2015-09-15 US disclosed
US-9133395-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2015-09-15 US disclosed