SCHEMBL14944759

SCHEMBL14944759

C=C(C)C(=O)OCCOc1cc(OCCOC(=O)C(=C)C)cc(OCCOC(=O)C(=C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
THRB P10828 2/20 0.53
TSHR P16473 3/20 0.47
PLA2G2A P14555 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
MCL1 Q07820 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL15339017 0.95 POLB (0.50) POLBAPEX1HTTTDP1THRB
SCHEMBL20364324 0.93 POLB (0.49) POLBAPEX1HTTTDP1THRB
SCHEMBL15339019 0.90 POLB (0.47) POLBAPEX1HTTTDP1THRB
SCHEMBL25068493 0.90 POLB (0.49) POLBAPEX1HTTTDP1THRB
SCHEMBL14036917 0.90 TDP1 (0.49) POLBAPEX1HTTTDP1THRB
SCHEMBL12196883 0.90 POLB (0.49) POLBAPEX1HTTTDP1THRB
SCHEMBL65346 0.90 TDP1 (0.52) POLBAPEX1HTTTDP1THRB
SCHEMBL454606 0.89 POLB (0.67) POLBAPEX1HTTTDP1THRB
SCHEMBL12925867 0.88 POLB (0.48) POLBAPEX1HTTTDP1THRB
SCHEMBL21400768 0.86 POLB (0.50) POLBAPEX1HTTTDP1THRB

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-9217109-B2 Polymer-stabilised liquid-crystal media and displays MERCK PATENT GMBH (DE) 2015-12-22 US disclosed
US-20130119311-A1 POLYMER-STABILISED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-16 US disclosed