SCHEMBL3936441

SCHEMBL3936441

CS(=O)(=O)c1ccc(Oc2cc(Cl)ccc2[O])c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.53
PTGS1 P23219 2/20 0.53
PTGDR2 Q9Y5Y4 2/20 0.47
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CYP2C9 P11712 1/20 0.42
TTR P02766 2/20 0.41
LMNA P02545 2/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAPT P10636 1/20 0.41
HSPA5 P11021 1/20 0.41
HPGD P15428 1/20 0.41
CBR1 P16152 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
AGTR1 P30556 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL1333614 0.88 PTGS2 (0.53) PTGS2PTGS1PTGDR2TTRLMNA
SCHEMBL3929611 0.86 EPAS1 (0.45) PTGS2PTGS1HPGDSLC6A2SLC6A3
SCHEMBL3928430 0.86 PTGDR2 (0.50) PTGS2PTGS1PTGDR2CYP2C9TTR
SCHEMBL5397099 0.85 PTGS2 (0.46) PTGS2PTGS1PTGDR2CYP11B1CYP11B2
SCHEMBL4873559 0.84 PTGS2 (0.55) PTGS2PTGS1PTGDR2CYP11B1CYP11B2
SCHEMBL1650304 0.84 PTGS2 (0.52) PTGS2PTGS1PTGDR2CYP11B1CYP11B2
SCHEMBL1331564 0.84 PTGS2 (0.52) PTGS2PTGS1PTGDR2CYP11B1CYP11B2
SCHEMBL5387729 0.84 PTGS2 (0.48) PTGS2PTGS1PTGDR2CYP11B1CYP11B2
SCHEMBL3935760 0.82 CYP11B1 (0.48) PTGS2PTGS1CYP11B1CYP11B2EPAS1
SCHEMBL3930206 0.81 PTGS2 (0.50) PTGS2PTGS1LMNAMAPTEPAS1

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