SCHEMBL9516080

SCHEMBL9516080

CC(C)c1cc(C(C)(C)C)cc(Br)c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.50
THRB P10828 2/20 0.43
THRA P10827 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BLM P54132 1/20 0.38
CCR5 P51681 1/20 0.37
MAOB P27338 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL8780259 0.82 GLRA1 (0.53) GLRA1THRBTHRAKMT2AMEN1
SCHEMBL6473455 0.82 THRB (0.46) THRBTHRAKMT2AMEN1TDP1
SCHEMBL9516084 0.81 GLRA1 (0.52) GLRA1THRBTHRAKMT2AMEN1
SCHEMBL13508914 0.80 THRB (0.44) THRBTHRAKMT2AMEN1TDP1
SCHEMBL16785951 0.78 GLRA1 (0.53) GLRA1THRBTHRAKMT2AMEN1
SCHEMBL12370682 0.78 THRB (0.54) GLRA1THRBTHRAKMT2AMEN1
SCHEMBL31419968 0.78 GLRA1 (0.62) GLRA1THRBTHRAKMT2AMEN1
SCHEMBL9512781 0.78 GLRA1 (0.44) GLRA1
SCHEMBL2112661 0.77 MAPT (0.48) THRBTHRAKMT2AMEN1SMN1; SMN2
SCHEMBL28005951 0.77 GLRA1 (0.50) GLRA1THRBTHRAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0341681-B1 6-Phenoxymethyl-4-hydroxytetrahydropyran-2-ones and 6-thiophenoxymethyl-4-hydroxytetrahydropyran-2-ones, the corresponding dihydrocarboxylic-acid derivatives, salts and esters, process for preparing these compounds, their use as medicines, pharmaceutical compositions and phenols and thiophenols HOECHST AG (DE) 1993-12-29 EP disclosed
US-5166171-A Compounds for treatment of artheriosclerosis and hypercholesterolemia HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-24 US disclosed
EP-0341681-A2 6-Phenoxymethyl-4-hydroxytetrahydropyran-2-ones and 6-thiophenoxymethyl-4-hydroxytetrahydropyran-2-ones, the corresponding dihydrocarboxylic-acid derivatives, salts and esters, process for preparing these compounds, their use as medicines, pharmaceutical compositions and phenols and thiophenols HOECHST AKTIENGESELLSCHAFT (DE) 1989-11-15 EP disclosed