SCHEMBL21985201

SCHEMBL21985201

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.36
THRB P10828 2/20 0.35
THRA P10827 1/20 0.35
PPARA Q07869 2/20 0.34
ALOX5 P09917 2/20 0.33
RARA P10276 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MTOR P42345 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR2 P34972 1/20 0.31
RARG P13631 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
PPARG P37231 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
SCHEMBL17070373 0.92 RARB (0.40) RARBTHRBTHRAPPARAALOX5
SCHEMBL19917698 0.89 RARB (0.33) RARBTHRBTHRAPPARAALOX5
SCHEMBL31746989 0.87 THRB (0.40) RARBTHRBTHRAPPARAALOX5
SCHEMBL17063582 0.87 THRB (0.40) RARBTHRBTHRAPPARAALOX5
SCHEMBL17070371 0.84 RARB (0.37) RARBTHRBTHRAPPARAALOX5
SCHEMBL22173814 0.84 RARB (0.38) RARBTHRBTHRAALOX5RARA
SCHEMBL17070365 0.83 THRB (0.42) RARBTHRBTHRAPPARARARA
SCHEMBL17070385 0.83 RARB (0.37) RARBTHRBTHRAPPARAALOX5
SCHEMBL17070375 0.82 RARB (0.36) RARBTHRBTHRARARAMEN1
SCHEMBL17070470 0.82 THRB (0.40) RARBTHRBTHRAPPARAALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2918658-B1 Liquid crystalline media with homeotropic alignment MERCK PATENT GMBH (DE) 2020-05-13 EP disclosed