SCHEMBL4037304

SCHEMBL4037304

CCOc1c2c(c(C=C(C)C)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1F)C2=O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 20/20 0.62
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58

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
SCHEMBL13942675 0.92 PTGER4 (0.63) PTGER4CYP1A2CYP2D6
SCHEMBL2297565 0.92 PTGER4 (0.72) PTGER4CYP1A2CYP2D6
SCHEMBL13942323 0.91 PTGER4 (0.51) PTGER4CYP1A2CYP2D6
SCHEMBL2929004 0.87 PTGER4 (0.66) PTGER4CYP1A2CYP2D6
SCHEMBL2937295 0.87 PTGER4 (0.66) PTGER4CYP1A2CYP2D6
SCHEMBL13942572 0.86 PTGER4 (0.65) PTGER4CYP1A2CYP2D6
SCHEMBL4031865 0.86 PTGER4 (0.80) PTGER4CYP1A2CYP2D6
SCHEMBL1590138 0.85 PTGER4 (0.64) PTGER4CYP1A2CYP2D6
SCHEMBL2431846 0.85 PTGER4 (0.64) PTGER4CYP1A2CYP2D6
SCHEMBL3231403 0.85 PTGER4 (0.64) 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
WO-2009019281-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2009-02-12 WO claimed
WO-2009019281-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2009-02-12 WO disclosed
WO-2009019281-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2009-02-12 WO disclosed