SCHEMBL4611048

SCHEMBL4611048

CCOc1c2c(c(OCC)c3ccccc13)C(O)N(c1ccc(CC(=O)O)c(F)c1)C2=O

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 20/20 0.66
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL9947661 0.93 PTGER4 (0.58) PTGER4CYP1A2CYP2D6
SCHEMBL4610970 0.93 PTGER4 (0.60) PTGER4CYP1A2CYP2D6
SCHEMBL8515135 0.93 PTGER4 (0.57) PTGER4CYP1A2CYP2D6
SCHEMBL12011124 0.91 PTGER4 (0.54) PTGER4CYP1A2CYP2D6
SCHEMBL9947864 0.86 PTGER4 (0.50) PTGER4CYP1A2CYP2D6
SCHEMBL9948203 0.86 PTGER4 (0.52) PTGER4CYP1A2CYP2D6
SCHEMBL8514147 0.86 PTGER4 (0.51) PTGER4CYP1A2CYP2D6
SCHEMBL1591394 0.85 PTGER4 (0.49) PTGER4CYP1A2CYP2D6
SCHEMBL10058512 0.85 PTGER4 (0.49) PTGER4CYP1A2CYP2D6
SCHEMBL12011121 0.85 PTGER4 (0.48) PTGER4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252833-B2 Benzo (f) isoindol-2-ylphenyl acetic acid derivatives as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2012-08-28 US disclosed
EP-2457897-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-30 EP disclosed
EP-1979316-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
WO-2007088190-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2007-08-09 WO disclosed