SCHEMBL6169722

SCHEMBL6169722

CCOC(=O)c1cncc(-n2c(C)ccc2-c2ccccc2OCc2ccc(OCC)cc2)c1.COc1ccc(COc2ccccc2C(=O)CCC(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 19/20 0.46
MAOB P27338 1/20 0.39
CYP2C9 P11712 3/20 0.38

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
SCHEMBL5629164 0.89 PTGER1 (0.55) PTGER1MAOBCYP2C9
SCHEMBL5627611 0.82 PTGER1 (0.65) PTGER1CYP2C9
SCHEMBL6168885 0.82 PTGER1 (0.66) PTGER1CYP2C9
SCHEMBL5629219 0.81 PTGER1 (0.57) PTGER1CYP2C9
SCHEMBL5629562 0.81 PTGER1 (0.56) PTGER1CYP2C9
SCHEMBL5628695 0.81 PTGER1 (0.66) PTGER1CYP2C9
SCHEMBL5630101 0.80 PTGER1 (0.67) PTGER1CYP2C9
SCHEMBL5628801 0.80 PTGER1 (0.55) PTGER1CYP2C9
SCHEMBL5627659 0.79 PTGER1 (0.68) PTGER1CYP2C9
SCHEMBL6170672 0.78 PTGER1 (0.60) 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