SCHEMBL3930211

SCHEMBL3930211

CS(=O)(=O)c1ccc(Oc2cc(F)c(F)cc2O)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.49
SCN9A Q15858 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
NR1I2 O75469 1/20 0.43
TTR P02766 1/20 0.43
PGR P06401 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HSPA5 P11021 1/20 0.43
HPGD P15428 1/20 0.43
CBR1 P16152 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
AGTR1 P30556 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PTGS1 P23219 2/20 0.43
EPAS1 Q99814 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL5397109 0.87 TTR (0.50) PTGS2LMNAMAPTNR1I2TTR
SCHEMBL3929614 0.85 EPAS1 (0.44) PTGS2SLC6A2SLC6A3PTGS1EPAS1
SCHEMBL3930206 0.84 PTGS2 (0.50) PTGS2SCN9ALMNAMAPTPTGS1
SCHEMBL1331564 0.82 PTGS2 (0.52) PTGS2LMNAMAPTNR1I2TTR
SCHEMBL5387735 0.80 PTGS2 (0.47) PTGS2LMNAMAPTNR1I2TTR
SCHEMBL1332611 0.80 PTGDR2 (0.60) PTGDR2
SCHEMBL1654842 0.79 PTGDR2 (0.54) SCN9ATTRMEN1KMT2APTGDR2
SCHEMBL3929611 0.75 EPAS1 (0.45) PTGS2HPGDSLC6A2SLC6A3PTGS1
SCHEMBL2395063 0.74 PTGS2 (0.44) PTGS2SLC6A2SLC6A3PTGS1EPAS1
SCHEMBL5397099 0.74 PTGS2 (0.46) PTGS2LMNAPTGS1EPAS1PTGDR2

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
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-B1 PHENOXYACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
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