SCHEMBL7817709

SCHEMBL7817709

O=C(O)/C=C/c1cc(Cl)ccc1CBr

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 4/20 0.56
PTGER2 P43116 4/20 0.56
TBXA2R P21731 2/20 0.56
PTGFR P43088 2/20 0.56
PTGIR P43119 2/20 0.56
PTGDR Q13258 2/20 0.56
EGFR P00533 1/20 0.50
ITGB2 P05107 2/20 0.46
ICAM1 P05362 2/20 0.46
ITGAL P20701 2/20 0.46
MAPT P10636 2/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
PTGER1 P34995 2/20 0.43
PTGER4 P35408 2/20 0.43
LMNA P02545 1/20 0.43
MDM2 Q00987 1/20 0.41
PLAU P00749 1/20 0.40
EIF2AK2 P19525 1/20 0.40
CSNK2A2 P19784 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
SCHEMBL7817711 1.00 PTGER3 (0.56) PTGER3PTGER2TBXA2RPTGFRPTGIR
SCHEMBL28365032 0.87 PTGER3 (0.56) PTGER3PTGER2TBXA2RPTGFRPTGIR
SCHEMBL27176782 0.85 EGFR (0.69) PTGER3PTGER2TBXA2RPTGFRPTGIR
SCHEMBL7931900 0.82 EGFR (0.51) PTGER3PTGER2TBXA2RPTGFRPTGIR
SCHEMBL7931897 0.82 EGFR (0.51) PTGER3PTGER2TBXA2RPTGFRPTGIR
SCHEMBL7928606 0.81 PTGER3 (0.60) PTGER3PTGER2TBXA2RPTGFRPTGIR
SCHEMBL7928601 0.81 PTGER3 (0.60) PTGER3PTGER2TBXA2RPTGFRPTGIR
SCHEMBL29406682 0.81 PTGER3 (0.55) PTGER3PTGER2TBXA2RPTGFRPTGIR
SCHEMBL7378640 0.81 PTGER3 (0.55) PTGER3PTGER2TBXA2RPTGFRPTGIR
SCHEMBL7378645 0.81 PTGER3 (0.55) PTGER3PTGER2TBXA2RPTGFRPTGIR

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