SCHEMBL8780259

SCHEMBL8780259

CC(C)c1cc(Br)c(OCc2ccccc2)c(C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.53
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
THRB P10828 2/20 0.46
THRA P10827 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
BLM P54132 1/20 0.40
MAOB P27338 1/20 0.40
CCR5 P51681 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL16785951 0.90 GLRA1 (0.53) GLRA1KMT2AMEN1TDP1THRB
SCHEMBL15537162 0.85 GLRA1 (0.48) GLRA1KMT2AMEN1TDP1THRB
SCHEMBL9516084 0.84 GLRA1 (0.52) GLRA1KMT2AMEN1TDP1THRB
SCHEMBL8164051 0.82 GLRA1 (0.57) GLRA1HPGDALDH1A1MAOBLMNA
SCHEMBL9516080 0.82 GLRA1 (0.50) GLRA1KMT2AMEN1TDP1THRB
SCHEMBL31419968 0.81 GLRA1 (0.62) GLRA1KMT2AMEN1TDP1THRB
SCHEMBL28005951 0.80 GLRA1 (0.50) GLRA1KMT2AMEN1TDP1THRB
SCHEMBL4850986 0.79 RXRA (0.41) KMT2ATHRBSMN1; SMN2ALDH1A1
SCHEMBL16785954 0.79 GLRA1 (0.63) GLRA1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL6915900 0.78 GLRA1 (0.59) GLRA1TDP1SMN1; SMN2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5668126-A ORAL ADMINISTRATION OF HMG-COA REDUCTASE INHIBITOR HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-16 US disclosed
US-5646272-A WITH IMPROVED ABSORPTION INTO THE BLOODSTREAM HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-08 US disclosed
EP-0417725-B1 Bile-acid derivatives, a process for their production and their use as medicines HOECHST AG (DE) 1997-04-23 EP disclosed
US-5462933-A Oral administering HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
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-0417725-A2 Bile-acid derivatives, a process for their production and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-20 EP 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