SCHEMBL8514217

SCHEMBL8514217

CCCOc1c2c(c(OCCC)c3ccccc13)C(O)N(c1ccc(CC(=O)O)cc1F)C2=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 17/20 0.55
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL9947697 0.93 PTGER4 (0.49) PTGER4CYP1A2CYP2D6PTGDR2
SCHEMBL9947768 0.93 PTGER4 (0.51) PTGER4CYP1A2CYP2D6PTGDR2
SCHEMBL4610403 0.93 PTGER4 (0.64) PTGER4CYP1A2CYP2D6
SCHEMBL12011119 0.90 PTGER4 (0.47) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL3966058 0.90 PTGER4 (0.54) PTGER4CYP1A2CYP2D6
SCHEMBL2926910 0.89 PTGER4 (0.55) PTGER4CYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL3045431 0.89 PTGER4 (0.55) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL3238654 0.87 PTGER4 (0.58) PTGER4CYP1A2CYP2D6PTGDR2
SCHEMBL3231023 0.87 PTGER4 (0.58) PTGER4CYP1A2CYP2D6PTGDR2
SCHEMBL2937290 0.87 PTGER4 (0.58) 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 3 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-1979316-B1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-07-11 EP 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