SCHEMBL19917698

SCHEMBL19917698

C=C(C)C(=O)Oc1cc(CCC(C)(CO)CO)c(OC(O)C(=C)C)cc1-c1ccc(-c2ccc(CCCCC)cc2)c(CC)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.33
THRB P10828 2/20 0.33
THRA P10827 1/20 0.33
S1PR1 P21453 4/20 0.33
S1PR4 O95977 2/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR5 Q9H228 2/20 0.32
S1PR2 O95136 1/20 0.32
TNNC1 P63316 5/20 0.31
SGPL1 O95470 1/20 0.31
GPR183 P32249 1/20 0.31
CERS2 Q96G23 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARA Q07869 1/20 0.30

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 0.93 RARB (0.37) RARBTHRBTHRAS1PR1S1PR4
SCHEMBL21985201 0.89 RARB (0.36) RARBTHRBTHRAALOX5PPARA
SCHEMBL17070375 0.88 RARB (0.36) RARBTHRBTHRAS1PR1S1PR4
SCHEMBL17070406 0.83 THRB (0.37) RARBTHRBTHRAS1PR1S1PR4
SCHEMBL21787294 0.82 RARB (0.38) RARBTHRBTHRAS1PR1S1PR4
SCHEMBL17063582 0.82 THRB (0.40) RARBTHRBTHRAALOX5PPARA
SCHEMBL31746989 0.82 THRB (0.40) RARBTHRBTHRAALOX5PPARA
SCHEMBL17070373 0.81 RARB (0.40) RARBTHRBTHRAALOX5PPARA
SCHEMBL17070377 0.81 RARB (0.36) RARBTHRBTHRAS1PR1S1PR4
SCHEMBL17070385 0.80 RARB (0.37) RARBTHRBTHRAALOX5PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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