SCHEMBL31442

SCHEMBL31442

CC1COC(c2ccc(C#N)cc2)OC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CYP2A6 P11509 2/20 0.39
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GRIA2 P42262 1/20 0.35
TBXA2R P21731 2/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
TBXAS1 P24557 2/20 0.34
CYP11B2 P19099 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
LOXL2 Q9Y4K0 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
SCHEMBL9627406 0.81 CA2 (0.39) ALDH1A1CYP2A6KCNH2GRIA2TBXA2R
SCHEMBL12542923 0.81 CYP2A6 (0.40) ALDH1A1CYP2A6KCNH2HRH3GRIA2
SCHEMBL7908260 0.81 CYP2A6 (0.40) ALDH1A1CYP2A6KCNH2HRH3GRIA2
SCHEMBL1334352 0.80 CYP2A6 (0.39) ALDH1A1CYP2A6CA12CA2CA3
SCHEMBL10610324 0.80 TBXA2R (0.37) ALDH1A1CYP2A6KCNH2HRH3GRIA2
SCHEMBL12353116 0.79 FFAR1 (0.46) ALDH1A1CYP2A6KCNH2CA12CA2
SCHEMBL1934042 0.78 CYP2A6 (0.38) ALDH1A1CYP2A6KCNH2HRH3GRIA2
SCHEMBL9773997 0.78 TBXA2R (0.34) ALDH1A1CYP2A6KCNH2GRIA2TBXA2R
SCHEMBL9773987 0.78 TBXA2R (0.34) ALDH1A1CYP2A6KCNH2GRIA2TBXA2R
SCHEMBL9773990 0.78 TBXA2R (0.34) ALDH1A1CYP2A6KCNH2GRIA2TBXA2R

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-9238775-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2016-01-19 US disclosed
US-9238775-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2016-01-19 US disclosed
EP-2690155-A1 LIQUID CRYSTAL ORIENTATION PROMOTER, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL, AND FILM FUJIFILM Corporation (JP) 2014-01-29 EP disclosed
US-20130208227-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
US-20130208227-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
WO-2012052100-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-04-26 WO disclosed
US-8159635-B2 Liquid crystal display device FUJIFILM CORPORATION (JP) 2012-04-17 US disclosed
WO-2012025182-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed
US-20100328584-A1 LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2010-12-30 US disclosed
US-7785678-B2 Liquid-crystalline mixtures and liquid-crystal displays MERCK PATENT GMBH (DE) 2010-08-31 US disclosed
US-20090201457-A1 LIQUID-CRYSTALLINE MIXTURES AND LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT (DE) 2009-08-13 US disclosed
US-7390538-B2 Liquid-crystal medium containing monofluoroterphenyl compounds MERCK PATENT GMBH (DE) 2008-06-24 US disclosed
US-7390538-B2 Liquid-crystal medium containing monofluoroterphenyl compounds MERCK PATENT GMBH (DE) 2008-06-24 US disclosed
US-7335404-B2 Liquid crystal composition for use in bistable liquid crystal devices MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-02-26 US disclosed
US-20070080325-A1 Liquid crystal composition for use in bistable liquid crystal devices MERCK PATENT GMBH (DE) 2007-04-12 US disclosed