SCHEMBL17070397

SCHEMBL17070397

C=C(C)C(=O)Oc1cc(-c2ccc(CCc3ccc(CCCCC)cc3)cc2CC)c(OC(=O)C(=C)C)cc1CCC(CC)(CO)CO

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.36
THRA P10827 1/20 0.36
S1PR1 P21453 10/20 0.35
S1PR3 Q99500 7/20 0.35
TNNC1 P63316 5/20 0.35
S1PR4 O95977 5/20 0.35
S1PR5 Q9H228 4/20 0.35
SGPL1 O95470 1/20 0.35
GPR183 P32249 1/20 0.35
CERS2 Q96G23 1/20 0.35
S1PR2 O95136 3/20 0.33
RARB P10826 2/20 0.33
SPHK2 Q9NRA0 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL17070436 0.96 THRB (0.36) THRBTHRAS1PR1S1PR3TNNC1
SCHEMBL17070406 0.90 THRB (0.37) THRBTHRAS1PR1S1PR3TNNC1
SCHEMBL21787295 0.90 RARB (0.37) THRBTHRAS1PR1S1PR3TNNC1
SCHEMBL17070387 0.89 HTT (0.35) THRBTHRAS1PR1S1PR3TNNC1
SCHEMBL17070392 0.88 THRB (0.41) THRBTHRARARBPPARGPPARA
SCHEMBL17070434 0.88 THRB (0.36) THRBTHRAS1PR1S1PR3TNNC1
SCHEMBL17070470 0.87 THRB (0.40) THRBTHRARARBPPARGPPARA
SCHEMBL17070441 0.87 THRB (0.40) THRBTHRARARBPPARGPPARA
SCHEMBL17070433 0.87 THRB (0.40) THRBTHRARARBPPARGPPARA
SCHEMBL17070377 0.86 RARB (0.36) THRBTHRAS1PR1S1PR3TNNC1

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