SCHEMBL6167717

SCHEMBL6167717

CC(=O)CCC(=O)c1cc(Br)ccc1OCc1ccc(F)cc1.COC(=O)c1cc(-n2c(C)ccc2-c2cc(Br)ccc2OCc2ccc(F)cc2)ccc1OC(F)F

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 20/20 0.73
CYP2C9 P11712 1/20 0.54
TBXA2R P21731 1/20 0.49
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49

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
SCHEMBL6170002 0.93 PTGER1 (0.63) PTGER1CYP2C9TBXA2RPTGER4PTGER3
SCHEMBL5629744 0.92 PTGER1 (0.86) PTGER1CYP2C9TBXA2RPTGER4PTGER3
SCHEMBL5630277 0.86 PTGER1 (0.74) PTGER1CYP2C9TBXA2RPTGER4PTGER3
SCHEMBL5631491 0.85 PTGER1 (0.87) PTGER1CYP2C9
SCHEMBL5629508 0.85 PTGER1 (1.00) PTGER1CYP2C9TBXA2RPTGER4PTGER3
SCHEMBL5628929 0.84 PTGER1 (0.72) PTGER1CYP2C9TBXA2RPTGER4PTGER3
SCHEMBL5628339 0.82 PTGER1 (0.70) PTGER1
SCHEMBL5626731 0.81 PTGER1 (0.71) PTGER1CYP2C9TBXA2RPTGER4PTGER3
SCHEMBL6176032 0.81 PTGER1 (0.67) PTGER1CYP2C9TBXA2RPTGER4PTGER3
SCHEMBL5626746 0.79 PTGER1 (0.88) PTGER1CYP2C9TBXA2RPTGER4PTGER3

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