SCHEMBL12375058

SCHEMBL12375058

C=C(C)C(=O)COc1ccc(-c2ccc(CCOC(=O)c3ccc(OCOC(=O)C(=C)C)cc3)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
MAOB P27338 1/20 0.36
MAPT P10636 4/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
LMNA P02545 3/20 0.33
RXRA P19793 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
RAB9A P51151 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
SCHEMBL12375059 0.84 MAPT (0.48) TDP1POLBAPEX1HTTMAOB
SCHEMBL17754250 0.79 TDP1 (0.44) TDP1POLBAPEX1HTTMAPT
SCHEMBL18194799 0.79 THRB (0.46) TDP1POLBAPEX1HTTMAOB
SCHEMBL13289588 0.78 MAOB (0.43) TDP1POLBAPEX1HTTMAOB
SCHEMBL18194824 0.77 ELANE (0.41) TDP1POLBAPEX1HTTMAOB
SCHEMBL13312839 0.76 MAPT (0.44) TDP1POLBAPEX1HTTMAOB
SCHEMBL15582420 0.76 THRB (0.40) TDP1MAOBMAPTLMNAKCNH2
SCHEMBL12242494 0.76 FFAR1 (0.41) TDP1POLBAPEX1HTTMAPT
SCHEMBL22131036 0.76 THRB (0.41) TDP1POLBAPEX1HTTRARA
SCHEMBL20390058 0.76 POLB (0.40) TDP1POLBAPEX1HTTMAOB

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-8440101-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display element using the same DIC CORPORATION (JP) 2013-05-14 US disclosed
US-20110186776-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2011-08-04 US disclosed