SCHEMBL5387729

SCHEMBL5387729

CS(=O)(=O)c1ccc(Oc2ccccc2[O])c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.48
PTGS1 P23219 2/20 0.45
BRD4 O60885 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
LMNA P02545 2/20 0.40
EPAS1 Q99814 1/20 0.39
MAPT P10636 1/20 0.39
SCN9A Q15858 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
AR P10275 1/20 0.38
GLA P06280 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
SCHEMBL3929611 0.84 EPAS1 (0.45) PTGS2PTGS1BRD4SMN1; SMN2EPAS1
SCHEMBL3936441 0.84 PTGS2 (0.53) PTGS2PTGS1SMN1; SMN2PTGDR2LMNA
SCHEMBL5387735 0.84 PTGS2 (0.47) PTGS2PTGS1BRD4SMN1; SMN2PTGDR2
SCHEMBL5397099 0.83 PTGS2 (0.46) PTGS2PTGS1BRD4SMN1; SMN2PTGDR2
SCHEMBL3930206 0.79 PTGS2 (0.50) PTGS2PTGS1SMN1; SMN2LMNAEPAS1
SCHEMBL1333614 0.78 PTGS2 (0.53) PTGS2PTGS1SMN1; SMN2PTGDR2LMNA
SCHEMBL1331609 0.77 PTGDR2 (0.62) SMN1; SMN2PTGDR2GLA
SCHEMBL11192788 0.77 CHRM1 (0.56) LMNAMAPT
SCHEMBL5397109 0.76 TTR (0.50) PTGS2PTGS1SMN1; SMN2PTGDR2LMNA
SCHEMBL2395063 0.74 PTGS2 (0.44) PTGS2PTGS1BRD4EPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007502806-A 2007-02-15 JP claimed
EP-1660431-A2 PHENOXYACETIC ACID DERIVATIVES Astrazeneca AB (SE) 2006-05-31 EP claimed
WO-2005018529-A2 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2005-03-03 WO claimed
EP-1660431-A2 PHENOXYACETIC ACID DERIVATIVES Astrazeneca AB (SE) 2006-05-31 EP disclosed
WO-2005018529-A2 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2005-03-03 WO disclosed