SCHEMBL12375061

SCHEMBL12375061

C=CC(=O)OCc1ccc(-c2ccc(C(=O)OCCc3ccc(OCC(=O)C(=C)C)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
THRB P10828 3/20 0.37
LMNA P02545 2/20 0.36
MAOB P27338 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TYR P14679 1/20 0.35
FFAR1 O14842 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34

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
SCHEMBL12242814 0.83 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL12375024 0.83 THRB (0.43) MAPTTHRBMEN1KMT2AFFAR1
SCHEMBL15582433 0.81 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL17754347 0.79 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL15582432 0.79 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL12375059 0.79 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL17461526 0.79 THRB (0.50) MAPTNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL12375056 0.79 ESR1 (0.45) MAPTNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL12242705 0.78 THRB (0.40) MAPTNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL18328845 0.77 NPC1 (0.51) MAPTNPC1RAB9ASMN1; SMN2ESR1

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