SCHEMBL17070375

SCHEMBL17070375

C=C(C)C(=O)Oc1cc(-c2ccc(-c3ccc(CCCCC)cc3)c(CC)c2)c(OC(=O)C(=C)C)cc1CCCC(C)(CO)CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.36
THRB P10828 2/20 0.36
THRA P10827 1/20 0.36
TNNC1 P63316 5/20 0.34
S1PR1 P21453 4/20 0.34
S1PR4 O95977 2/20 0.34
S1PR3 Q99500 2/20 0.34
SGPL1 O95470 1/20 0.34
GPR183 P32249 1/20 0.34
CERS2 Q96G23 1/20 0.34
S1PR5 Q9H228 1/20 0.34
SPHK2 Q9NRA0 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RARA P10276 1/20 0.32
MAPT P10636 1/20 0.32
MTOR P42345 1/20 0.32
KMT2A Q03164 1/20 0.32
FPR1 P21462 2/20 0.32
S1PR2 O95136 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
SCHEMBL17070369 0.96 RARB (0.37) RARBTHRBTHRATNNC1S1PR1
SCHEMBL17070377 0.90 RARB (0.36) RARBTHRBTHRATNNC1S1PR1
SCHEMBL21787294 0.90 RARB (0.38) RARBTHRBTHRATNNC1S1PR1
SCHEMBL17070373 0.89 RARB (0.40) RARBTHRBTHRAMEN1ALDH1A1
SCHEMBL17070434 0.89 THRB (0.36) RARBTHRBTHRATNNC1S1PR1
SCHEMBL19917698 0.88 RARB (0.33) RARBTHRBTHRATNNC1S1PR1
SCHEMBL17063582 0.88 THRB (0.40) RARBTHRBTHRAMEN1ALDH1A1
SCHEMBL31746989 0.88 THRB (0.40) RARBTHRBTHRAMEN1ALDH1A1
SCHEMBL17070406 0.86 THRB (0.37) RARBTHRBTHRATNNC1S1PR1
SCHEMBL17070371 0.85 RARB (0.37) RARBTHRBTHRAMEN1ALDH1A1

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