SCHEMBL8588489

SCHEMBL8588489

CCCOc1c2c(c(OCCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)c(F)c1)C2=O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 17/20 0.63
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40

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
SCHEMBL9948068 0.95 PTGER4 (0.58) PTGER4CYP1A2CYP2D6PPARAPPARG
SCHEMBL9947679 0.94 PTGER4 (0.58) PTGER4CYP1A2CYP2D6PPARAPPARG
SCHEMBL1589922 0.93 PTGER4 (0.57) PTGER4CYP1A2CYP2D6PPARAPPARG
SCHEMBL4611730 0.92 PTGER4 (0.74) PTGER4CYP1A2CYP2D6
SCHEMBL9606836 0.89 PTGER4 (0.53) PTGER4CYP1A2CYP2D6PPARAPPARG
SCHEMBL9947656 0.87 PTGER4 (0.68) PTGER4CYP1A2CYP2D6
SCHEMBL9947957 0.86 PTGER4 (0.59) PTGER4CYP1A2CYP2D6
SCHEMBL9947762 0.86 PTGER4 (0.67) PTGER4CYP1A2CYP2D6
SCHEMBL2297444 0.86 PTGER4 (0.85) PTGER4
SCHEMBL10058523 0.85 PTGER4 (0.50) PTGER4CYP1A2CYP2D6PPARAPPARG

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
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