SCHEMBL17070425

SCHEMBL17070425

C=C(C)C(=O)Oc1cc(-c2ccc(CCC(CO)CO)cc2CC)c(OC(=O)C(=C)C)cc1CCc1ccc(CCCCC)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.37
THRA P10827 3/20 0.37
EP300 Q09472 1/20 0.34
KAT5 Q92993 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
S1PR2 O95136 5/20 0.33
S1PR1 P21453 5/20 0.33
RARB P10826 2/20 0.33
S1PR3 Q99500 4/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
SPHK1 Q9NYA1 4/20 0.32
S1PR4 O95977 3/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL17070391 0.97 THRB (0.38) THRBTHRAS1PR2S1PR1RARB
SCHEMBL17070427 0.96 THRB (0.37) THRBTHRAEP300KAT5KAT8
SCHEMBL17070440 0.94 THRB (0.37) THRBTHRAS1PR2S1PR1RARB
SCHEMBL17070433 0.90 THRB (0.40) THRBTHRAEP300KAT5KAT8
SCHEMBL17070441 0.90 THRB (0.40) THRBTHRAEP300KAT5KAT8
SCHEMBL17070366 0.89 RARB (0.39) THRBTHRARARBPPARGPPARA
SCHEMBL17070392 0.89 THRB (0.41) THRBTHRAKAT8RARBPPARG
SCHEMBL17070470 0.88 THRB (0.40) THRBTHRARARBPPARGPPARA
SCHEMBL17070385 0.87 RARB (0.37) THRBTHRARARBPPARASPHK1
SCHEMBL17070390 0.86 MAPT (0.36) THRBTHRARARBPPARGPPARA

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