SCHEMBL12375080

SCHEMBL12375080

C=CC(=O)OCCc1ccc(OC(=O)CCc2ccc(-c3ccc(OCCCCOC(=O)C(=C)C)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
THRB P10828 3/20 0.41
KMT2A Q03164 1/20 0.38
P2RY10 O00398 1/20 0.37
FFAR1 O14842 3/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
HDAC3 O15379 3/20 0.34
HDAC4 P56524 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC7 Q8WUI4 3/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC10 Q969S8 3/20 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
SCHEMBL16541705 0.92 THRB (0.43) HTTPOLBAPEX1TDP1THRB
SCHEMBL15303823 0.90 THRB (0.46) HTTTDP1THRBKMT2ALMNA
SCHEMBL18200272 0.90 THRB (0.50) HTTTDP1THRBKMT2AP2RY10
SCHEMBL20194329 0.89 POLB (0.41) HTTPOLBAPEX1TDP1THRB
SCHEMBL17433312 0.88 THRB (0.53) HTTPOLBAPEX1TDP1THRB
SCHEMBL18200273 0.88 THRB (0.50) HTTTDP1THRBKMT2AP2RY10
SCHEMBL3437307 0.87 CA12 (0.46) HTTPOLBAPEX1TDP1THRB
SCHEMBL22296365 0.86 THRB (0.39) HTTPOLBAPEX1TDP1THRB
SCHEMBL16541702 0.85 CA12 (0.46) HTTPOLBAPEX1TDP1THRB
SCHEMBL18194825 0.84 THRB (0.45) HTTPOLBAPEX1TDP1THRB

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-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-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
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