SCHEMBL4683232

SCHEMBL4683232

CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1c(-c3c(C)cc(C)cc3C)cc(CC(=O)O)cc1-c1c(C)cc(C)cc1C)C2

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 20/20 0.68
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL3561381 0.89 PTGER4 (0.79) PTGER4CYP1A2CYP2D6
SCHEMBL2295587 0.84 PTGER4 (0.79) PTGER4CYP1A2CYP2D6
SCHEMBL3570750 0.81 PTGER4 (1.00) PTGER4
SCHEMBL2300769 0.80 PTGER4 (1.00) PTGER4CYP1A2CYP2D6
SCHEMBL3566802 0.79 PTGER4 (0.80) PTGER4CYP1A2CYP2D6
SCHEMBL3563657 0.77 PTGER4 (1.00) PTGER4CYP1A2CYP2D6
SCHEMBL3560192 0.77 PTGER4 (1.00) PTGER4CYP1A2CYP2D6
SCHEMBL2295490 0.77 PTGER4 (1.00) PTGER4CYP1A2CYP2D6
SCHEMBL12011135 0.77 PTGER4 (0.65) PTGER4
SCHEMBL3569590 0.77 PTGER4 (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1886993-B1 BENZO[F]ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LTD (GB) 2013-09-18 EP disclosed
EP-1886993-A1 BENZO[F]ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-02-13 EP disclosed