SCHEMBL9506708

SCHEMBL9506708

COC(=O)CC(OS(C)(=O)=O)c1cc(C(F)(F)F)ccc1CCCCCCCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
RXRA P19793 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
PLK1 P53350 1/20 0.36
ASAH1 Q13510 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL9560187 0.91 CYSLTR2 (0.51) CYSLTR2CYSLTR1PPARDPPARAMEN1
SCHEMBL9505621 0.84 CYSLTR2 (0.58) CYSLTR2CYSLTR1PPARDPPARAHDAC1
SCHEMBL9506696 0.78 CYSLTR2 (0.71) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL9560179 0.75 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARDPPARAHDAC1
SCHEMBL10811066 0.70 CYSLTR2 (0.70) CYSLTR2CYSLTR1MAPTHDAC1HDAC8
SCHEMBL9506690 0.70 CYSLTR2 (0.66) CYSLTR2CYSLTR1PPARARXRANR1H2
SCHEMBL9504760 0.69 CYSLTR2 (0.54) CYSLTR2CYSLTR1PTGDR2TP53CYP1A2
SCHEMBL9560077 0.69 CYSLTR2 (0.69) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL9507469 0.69 CYSLTR2 (0.48) CYSLTR2CYSLTR1MAPTHDAC1HDAC8
SCHEMBL9507472 0.69 CYSLTR2 (0.48) CYSLTR2CYSLTR1MAPTHDAC1HDAC8

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-0375348-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-23 EP disclosed
US-4954513-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-09-04 US disclosed
EP-0375348-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP disclosed