SCHEMBL5622646

SCHEMBL5622646

C[S+]([O-])c1ccc(OCc2ccc(F)cc2)c(C2=C(c3cccc(C(=O)O)c3)CCC2)c1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 20/20 0.74
CYP2C9 P11712 1/20 0.61

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
SCHEMBL5622090 0.93 PTGER1 (0.72) PTGER1CYP2C9
SCHEMBL5621404 0.89 PTGER1 (0.76) PTGER1CYP2C9
SCHEMBL5620162 0.85 PTGER1 (1.00) PTGER1CYP2C9
SCHEMBL5619997 0.84 PTGER1 (1.00) PTGER1CYP2C9
SCHEMBL5619894 0.79 PTGER1 (1.00) PTGER1CYP2C9
SCHEMBL5620981 0.77 PTGER1 (1.00) PTGER1CYP2C9
SCHEMBL5619557 0.77 PTGER1 (1.00) PTGER1CYP2C9
SCHEMBL5619861 0.77 PTGER1 (0.84) PTGER1CYP2C9
SCHEMBL5621079 0.77 PTGER1 (1.00) PTGER1CYP2C9
SCHEMBL5621075 0.77 PTGER1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7232821-B2 (2-((2-alkoxy)-phenyl) -cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2007-06-19 US claimed