SCHEMBL8516039

SCHEMBL8516039

CC(C)Oc1c2c(c(OC(C)C)c3ccccc13)C(O)N(c1ccc(CC(=O)O)cc1F)C2=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 14/20 0.49
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.34
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
SCHEMBL9947714 0.96 PTGER4 (0.47) PTGER4CYP1A2CYP2D6PTGDR2
SCHEMBL9948183 0.96 PTGER4 (0.47) PTGER4CYP1A2CYP2D6PTGDR2
SCHEMBL10058510 0.92 PTGER4 (0.48) PTGER4CYP1A2CYP2D6PTGDR2KDM4E
SCHEMBL1590641 0.92 PTGER4 (0.48) PTGER4CYP1A2CYP2D6PTGDR2KDM4E
SCHEMBL12011120 0.89 PTGER4 (0.43) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL2926089 0.89 PTGER4 (0.49) PTGER4CYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL2924739 0.89 PTGER4 (0.49) PTGER4CYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL4611275 0.87 PTGER4 (0.59) PTGER4CYP1A2CYP2D6
SCHEMBL9947720 0.87 PTGER4 (0.56) PTGER4CYP1A2CYP2D6
SCHEMBL9947945 0.87 PTGER4 (0.46) PTGER4CYP1A2CYP2D6KDM4EALDH1A1

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