SCHEMBL14944770

SCHEMBL14944770

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MYC P01106 2/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
ELANE P08246 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 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
SCHEMBL5164883 0.88 POLB (0.44) TSHRALDH1A1MAPK1POLBAPEX1
SCHEMBL29757196 0.88 TSHR (0.46) TSHRALDH1A1MAPK1POLBAPEX1
SCHEMBL930924 0.88 TSHR (0.46) TSHRALDH1A1MAPK1POLBAPEX1
SCHEMBL14944800 0.86 POLB (0.39) TSHRALDH1A1MAPK1POLBAPEX1
SCHEMBL18812871 0.85 TDP1 (0.53) TSHRALDH1A1MAPK1POLBAPEX1
SCHEMBL28886899 0.82 TSHR (0.53) TSHRALDH1A1MAPK1TDP1CA2
SCHEMBL14262501 0.81 POLB (0.49) TSHRALDH1A1MAPK1POLBAPEX1
SCHEMBL14262508 0.81 TDP1 (0.49) TSHRALDH1A1MAPK1POLBAPEX1
SCHEMBL13171716 0.81 MAPT (0.43) TSHRALDH1A1POLBAPEX1HTT
SCHEMBL643444 0.80 THRB (0.47) TSHRALDH1A1MAPK1POLBAPEX1

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