SCHEMBL4637503

SCHEMBL4637503

CS(=O)(=O)c1ccc(Oc2c[c]cc(Cl)c2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 3/20 0.49
PTGS2 P35354 10/20 0.46
PTGS1 P23219 6/20 0.46
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.38

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
SCHEMBL4639087 0.86 EPAS1 (0.44) EPAS1PTGDR2SMN1; SMN2
SCHEMBL4637444 0.86 EPAS1 (0.53) EPAS1PTGS2PTGS1CYP11B1CYP11B2
SCHEMBL4637490 0.82 EPAS1 (0.43) EPAS1PTGDR2SMN1; SMN2LMNA
SCHEMBL4726020 0.78 PTGDR2 (0.41) EPAS1PTGDR2
SCHEMBL10950526 0.78 EPAS1 (0.52) EPAS1PTGS2PTGS1CYP11B1CYP11B2
SCHEMBL4637412 0.77 PTGS2 (0.43) EPAS1PTGS2PTGS1CYP11B1CYP11B2
SCHEMBL10883810 0.77 EPAS1 (0.48) EPAS1PTGS2PTGS1CYP11B1CYP11B2
SCHEMBL4637496 0.76 PTGDR2 (0.40) EPAS1PTGS2PTGS1PTGDR2SMN1; SMN2
SCHEMBL4637399 0.75 EPAS1 (0.47) EPAS1PTGDR2
SCHEMBL4638008 0.75 PTGDR2 (0.41) EPAS1PTGDR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP claimed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO claimed
EP-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP disclosed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed