SCHEMBL10040692

SCHEMBL10040692

C=C(C)C(=O)OCc1cc(COC(=O)C(=C)C)cc(OC(=O)C(=C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
TSHR P16473 3/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.31
PTPRC P08575 1/20 0.30
PTPRF P10586 1/20 0.30
PTPN1 P18031 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL10040732 0.97 ELANE (0.41) ELANETSHRKMT2AATMPOLB
SCHEMBL15339013 0.91 ELANE (0.38) ELANETSHRKMT2AATMPOLB
SCHEMBL22195195 0.85 ELANE (0.46) ELANETSHRKMT2AATMPOLB
SCHEMBL15339014 0.84 TSHR (0.42) ELANETSHRKMT2APOLBAPEX1
SCHEMBL9299347 0.83 KMT2A (0.41) TSHRKMT2APOLBALDH1A1CYP3A4
SCHEMBL4353040 0.82 CYP4F2 (0.53) ELANETSHRKMT2AATMPOLB
SCHEMBL15339185 0.80 ELANE (0.39) ELANETSHRKMT2AATMPOLB
SCHEMBL7922433 0.80 HSP90AB1 (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL23001325 0.80 TSHR (0.37) ELANETSHRKMT2AATMPOLB
SCHEMBL14944796 0.80 TSHR (0.34) ELANETSHRPOLBAPEX1HTT

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