SCHEMBL10040682

SCHEMBL10040682

C=CC(=O)OCCOC(=O)c1cc(C(=O)OCCOC(=O)C=C)cc(C(=O)OCCOC(=O)C=C)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.57
ALDH1A1 P00352 4/20 0.57
TP53 P04637 3/20 0.57
HIF1A Q16665 3/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP3A4 P08684 2/20 0.52
SERPINE1 P05121 3/20 0.52
THRB P10828 2/20 0.51
HPGD P15428 1/20 0.47
TYR P14679 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ESR1 P03372 4/20 0.40
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL27880069 0.93 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL16848524 0.93 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13007388 0.91 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8982616 0.89 THRB (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4645538 0.88 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12990415 0.88 SERPINE1 (0.73) SERPINE1TYRL3MBTL1ESR1
SCHEMBL16964171 0.88 CYP2C19 (0.49) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10719622 0.88 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL15695704 0.88 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14587922 0.87 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10

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 6 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-9217109-B2 Polymer-stabilised liquid-crystal media and displays MERCK PATENT GMBH (DE) 2015-12-22 US disclosed
EP-2596082-B1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GMBH (DE) 2015-11-04 EP disclosed
US-20130119311-A1 POLYMER-STABILISED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-16 US disclosed
US-20130119311-A1 POLYMER-STABILISED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-16 US disclosed
WO-2012022388-A1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GMBH (DE) 2012-02-23 WO disclosed