SCHEMBL709455

SCHEMBL709455

C=C(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
APEX1 P27695 1/20 0.60
HTT P42858 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
MMP2 P08253 5/20 0.47
MMP3 P08254 4/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL816232 0.97 POLB (0.64) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL8820401 0.93 MAPT (0.55) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL8667962 0.92 POLB (0.70) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL2468868 0.91 HTT (0.64) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL953146 0.91 HTT (0.64) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL14275377 0.90 POLB (0.61) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL29322031 0.89 TDP1 (0.54) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL14346662 0.89 POLB (0.64) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL29316163 0.89 TDP1 (0.54) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL16921471 0.89 POLB (0.75) POLBAPEX1HTTTDP1ALDH1A1

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
EP-1945737-B1 COPOLYMER FOR LIQUID CRYSTAL ALIGNMENT, LIQUID CRYSTAL ALIGNING LAYER INCLUDING COPOLYMER FOR LIQUID CRYSTAL ALIGNMENT, AND LIQUID CRYSTAL DISPLAY INCLUDING LIQUID CRYSTAL ALIGNING LAYER LG CHEMICAL LTD (KR) 2013-03-06 EP disclosed
US-8123977-B2 Copolymer for liquid crystal alignment, liquid crystal aligning layer including copolymer for liquid crystal alignment, and liquid crystal display including liquid crystal aligning layer LG CHEM, LTD. (KR) 2012-02-28 US disclosed
EP-1945737-A1 COPOLYMER FOR LIQUID CRYSTAL ALIGNMENT, LIQUID CRYSTAL ALIGNING LAYER INCLUDING COPOLYMER FOR LIQUID CRYSTAL ALIGNMENT, AND LIQUID CRYSTAL DISPLAY INCLUDING LIQUID CRYSTAL ALIGNING LAYER LG Chem, Ltd. (KR) 2008-07-23 EP disclosed
WO-2007052979-A1 COPOLYMER FOR LIQUID CRYSTAL ALIGNMENT, LIQUID CRYSTAL ALIGNING LAYER INCLUDING COPOLYMER FOR LIQUID CRYSTAL ALIGNMENT, AND LIQUID CRYSTAL DISPLAY INCLUDING LIQUID CRYSTAL ALIGNING LAYER LG CHEM. LTD. (KR) 2007-05-10 WO disclosed