SCHEMBL14944800

SCHEMBL14944800

C=C(C)C(=O)OCOC(=O)c1ccc(OCOC(=O)C(=C)C)c(C(=O)OCOC(=O)C(=C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 3/20 0.37
MAPT P10636 1/20 0.37
MYC P01106 2/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HSD17B2 P37059 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 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
SCHEMBL14944770 0.86 TSHR (0.46) POLBAPEX1HTTTDP1TSHR
SCHEMBL14944799 0.81 THRB (0.37) POLBTSHRMAPTMYCALDH1A1
SCHEMBL5164883 0.81 POLB (0.44) POLBAPEX1HTTTDP1TSHR
SCHEMBL17354429 0.79 NPC1 (0.37) POLBAPEX1HTTTDP1TSHR
SCHEMBL13171716 0.76 MAPT (0.43) POLBAPEX1HTTTDP1TSHR
SCHEMBL17354428 0.76 POLB (0.40) POLBAPEX1HTTTDP1TSHR
SCHEMBL18904540 0.75 HRH3 (0.49) POLBAPEX1HTTTDP1MAPT
SCHEMBL28886899 0.75 TSHR (0.53) TDP1TSHRALDH1A1MAPK1CA2
SCHEMBL930924 0.74 TSHR (0.46) POLBAPEX1HTTTDP1TSHR
SCHEMBL29757196 0.74 TSHR (0.46) POLBAPEX1HTTTDP1TSHR

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