SCHEMBL17070387

SCHEMBL17070387

C=C(C)C(=O)OCCOc1cc(-c2ccc(CCc3ccc(CCCCC)cc3)cc2CC)c(OCCOC(=O)C(=C)C)cc1CCC(CC)(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 2/20 0.35
THRB P10828 2/20 0.35
APAF1 O14727 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAD52 P43351 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
THRA P10827 1/20 0.34
S1PR1 P21453 8/20 0.33
TSHR P16473 2/20 0.33
S1PR3 Q99500 4/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 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
SCHEMBL17070452 0.96 HTT (0.34) HTTMAPTMAPK1THRBAPAF1
SCHEMBL17070383 0.94 S1PR1 (0.37) THRBTHRAS1PR1TSHRS1PR3
SCHEMBL17070388 0.91 HTT (0.35) HTTMAPTMAPK1THRBAPAF1
SCHEMBL21787293 0.91 RARB (0.35) HTTMAPTMAPK1THRBAPAF1
SCHEMBL17070397 0.89 THRB (0.36) THRBTHRAS1PR1S1PR3TNNC1
SCHEMBL17070437 0.89 HTT (0.35) HTTMAPTMAPK1THRBAPAF1
SCHEMBL17070438 0.88 HTT (0.38) HTTMAPTMAPK1THRBAPAF1
SCHEMBL17070435 0.88 HTT (0.38) HTTMAPTMAPK1THRBAPAF1
SCHEMBL17070465 0.88 HTT (0.40) HTTMAPTMAPK1THRBAPAF1
SCHEMBL17070390 0.87 MAPT (0.36) HTTMAPTMAPK1THRBAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11150518-B2 Liquid crystal display device SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2021-10-19 US disclosed
EP-3730590-A1 LIQUID CRYSTAL MEDIA WITH HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2020-10-28 EP disclosed
EP-2918658-B1 Liquid crystalline media with homeotropic alignment MERCK PATENT GMBH (DE) 2020-05-13 EP disclosed
US-20200073180-A1 LIQUID CRYSTAL DISPLAY DEVICE SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2020-03-05 US disclosed
US-10513657-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2019-12-24 US disclosed
US-20180057743-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-03-01 US disclosed
US-20180057743-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-03-01 US disclosed
US-9809748-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
US-9809748-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
EP-2918658-A2 Liquid crystalline media with homeotropic alignment Merck Patent GmbH (DE) 2015-09-16 EP disclosed
US-20150252265-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2015-09-10 US disclosed
US-20150252265-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2015-09-10 US disclosed