SCHEMBL31746989

SCHEMBL31746989

C=C(C)C(=O)Oc1cc(-c2ccc(-c3ccc(CCCCC)cc3)c(CC)c2)c(OC(=O)C(=C)C)cc1CCO

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.40
THRA P10827 4/20 0.40
RARB P10826 10/20 0.40
RARA P10276 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MTOR P42345 1/20 0.36
KMT2A Q03164 1/20 0.36
RARG P13631 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL17063582 1.00 THRB (0.40) THRBTHRARARBRARAALDH1A1
SCHEMBL22173814 0.96 RARB (0.38) THRBTHRARARBRARAALDH1A1
SCHEMBL17070373 0.95 RARB (0.40) THRBTHRARARBRARAALDH1A1
SCHEMBL17070385 0.90 RARB (0.37) THRBTHRARARBRARAALDH1A1
SCHEMBL17070392 0.89 THRB (0.41) THRBTHRARARBALDH1A1MEN1
SCHEMBL17070371 0.89 RARB (0.37) THRBTHRARARBRARAALDH1A1
SCHEMBL17070369 0.89 RARB (0.37) THRBTHRARARBRARAALDH1A1
SCHEMBL17070375 0.88 RARB (0.36) THRBTHRARARBRARAALDH1A1
SCHEMBL17070439 0.88 THRB (0.42) THRBTHRARARBRARAALDH1A1
SCHEMBL21985201 0.87 RARB (0.36) THRBTHRARARBRARAALDH1A1

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-3730590-B1 LIQUID CRYSTAL MEDIA WITH HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2025-12-24 EP disclosed