SCHEMBL3928430

SCHEMBL3928430

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.50
RXFP1 Q9HBX9 1/20 0.42
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
CYP2C9 P11712 1/20 0.40
SCN9A Q15858 1/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
TTR P02766 2/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
PGR P06401 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPT P10636 1/20 0.40
HSPA5 P11021 1/20 0.40
HPGD P15428 1/20 0.40
CBR1 P16152 1/20 0.40
TBXA2R P21731 1/20 0.40
AGTR1 P30556 1/20 0.40

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
SCHEMBL1332617 0.89 PTGDR2 (0.50) PTGDR2RXFP1TTRLMNAMAPT
SCHEMBL3927504 0.86 ALDH1A1 (0.42) PTGDR2SCN9ASLC6A2SLC6A3HPGD
SCHEMBL3936441 0.86 PTGS2 (0.53) PTGDR2PTGS1PTGS2CYP2C9SCN9A
SCHEMBL2393406 0.85 PTGDR2 (0.49) PTGDR2RXFP1PTGS1PTGS2CYP2C9
SCHEMBL1333658 0.85 PTGDR2 (0.52) PTGDR2CYP2C9SLC6A2SLC6A3TTR
SCHEMBL1332548 0.82 PTGDR2 (0.71) PTGDR2
SCHEMBL2398612 0.82 PTGDR2 (0.46) PTGDR2LMNAMAPTHPGD
SCHEMBL1333653 0.80 PTGDR2 (0.58) PTGDR2TTR
SCHEMBL28330663 0.80 PTGDR2 (0.58) PTGDR2TTR
SCHEMBL1331645 0.80 PTGDR2 (0.53) PTGDR2TTRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660431-B1 PHENOXYACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2009-04-01 EP claimed
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