SCHEMBL6170931

SCHEMBL6170931

COC(=O)c1cc(-n2c(C)ccc2-c2cc(Br)ccc2OCc2ccccc2)ccc1OC.Cc1ccc(-c2cc(Br)ccc2OCc2ccccc2)n1-c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 20/20 0.68
CYP2C9 P11712 2/20 0.63

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
SCHEMBL5627603 0.94 PTGER1 (0.70) PTGER1CYP2C9
SCHEMBL5627471 0.92 PTGER1 (0.78) PTGER1CYP2C9
SCHEMBL5627314 0.91 PTGER1 (0.80) PTGER1CYP2C9
SCHEMBL5631491 0.85 PTGER1 (0.87) PTGER1CYP2C9
SCHEMBL5631553 0.85 PTGER1 (0.85) PTGER1CYP2C9
SCHEMBL5628034 0.84 PTGER1 (0.80) PTGER1CYP2C9
SCHEMBL5629766 0.84 PTGER1 (0.67) PTGER1CYP2C9
SCHEMBL5627734 0.83 PTGER1 (0.85) PTGER1CYP2C9
SCHEMBL5630320 0.83 PTGER1 (0.88) PTGER1CYP2C9
SCHEMBL5631388 0.82 PTGER1 (0.71) PTGER1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
WO-2003101959-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-12-11 WO disclosed