SCHEMBL7817274

SCHEMBL7817274

COc1ccc(Br)cc1S(=O)(=O)NC(=O)C=Cc1ccc(Cl)cc1Cc1ccc2ccccc2c1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 16/20 0.83
▸ PTGER4 P35408 5/20 0.83
▸ PTGER1 P34995 3/20 0.83
▸ DRD3 P35462 1/20 0.83
▸ PTGER2 P43116 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ WDR5 P61964 2/20 0.43
▸ MYC P01106 1/20 0.43
▸ TBXA2R P21731 1/20 0.41
▸ PTGFR P43088 1/20 0.41
▸ PTGDR Q13258 1/20 0.41
▸ CPT1A P50416 1/20 0.41
▸ CPT1B Q92523 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
SCHEMBL7817269 1.00 PTGER3 (0.83) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL1061876 0.94 PTGER3 (0.83) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL1061880 0.94 PTGER3 (0.83) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL30145373 0.94 PTGER3 (0.83) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL29376849 0.91 PTGER3 (1.00) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL29988642 0.91 PTGER3 (1.00) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL6651935 0.91 PTGER3 (1.00) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL6651946 0.91 PTGER3 (1.00) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL29663670 0.91 PTGER3 (1.00) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL7931390 0.89 PTGER3 (0.76) PTGER3PTGER4PTGER1DRD3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242493-B1 PROSTAGLANDIN INHIBITORS; ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-06-05 — — US disclosed
EP-1071648-A2 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Frosst Canada & Co. (CA) 2001-01-31 — — EP disclosed
WO-1999047497-A2 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK FROSST CANADA & CO. (CA) 1999-09-23 — — WO disclosed
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