SCHEMBL17070376

SCHEMBL17070376

C=C(C)C(=O)OCCOc1cc(-c2ccc(CCCO)cc2CC)c(OCCOC(=O)C(=C)C)cc1-c1ccc(CCCCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.39
THRB P10828 2/20 0.38
THRA P10827 1/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 4/20 0.37
MAPK1 P28482 3/20 0.37
HTT P42858 3/20 0.37
APAF1 O14727 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
CASP1 P29466 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
RAD52 P43351 2/20 0.36

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
SCHEMBL17070435 0.93 HTT (0.38) RARBTHRBTHRATSHRMAPT
SCHEMBL17070465 0.93 HTT (0.40) RARBTHRBTHRATSHRMAPT
SCHEMBL17070455 0.91 RARB (0.36) RARBTHRBTHRATSHRMAPT
SCHEMBL19796398 0.91 HTT (0.41) THRBTHRATSHRMAPTMAPK1
SCHEMBL19796808 0.91 RARB (0.39) RARBTHRBTHRATSHRMAPT
SCHEMBL17070374 0.90 RARB (0.36) RARBTHRBTHRATSHRMAPT
SCHEMBL21787423 0.89 RARB (0.35) RARBTHRBTHRATSHRMAPT
SCHEMBL17070365 0.89 THRB (0.42) RARBTHRBTHRAMAPTMEN1
SCHEMBL17070438 0.89 HTT (0.38) RARBTHRBTHRATSHRMAPT
SCHEMBL21787293 0.89 RARB (0.35) RARBTHRBTHRATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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