SCHEMBL2435912

SCHEMBL2435912

CCOc1c2c(c(OCC(F)(F)F)c3ccccc13)C(OC(=O)C(CC)c1ccc(N3C(=O)c4c(c(OCC)c5ccccc5c4OCC(F)(F)F)C3O)c(Cl)c1)N(c1ccc(CC(=O)O)cc1Cl)C2=O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 18/20 0.47
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL2435918 0.93 PTGER4 (0.49) PTGER4CYP1A2CYP2D6
SCHEMBL2930321 0.89 PTGER4 (0.57) PTGER4CYP1A2CYP2D6
SCHEMBL14307440 0.89 PTGER4 (0.57) PTGER4CYP1A2CYP2D6
SCHEMBL2937605 0.89 PTGER4 (0.57) PTGER4CYP1A2CYP2D6
SCHEMBL2429101 0.88 PTGER4 (0.43) PTGER4CYP1A2CYP2D6
SCHEMBL2428028 0.85 PTGER4 (0.50) PTGER4CYP1A2CYP2D6
SCHEMBL12289221 0.85 PTGER4 (0.50) PTGER4CYP1A2CYP2D6
SCHEMBL12289269 0.83 PTGER4 (0.47) PTGER4CYP1A2CYP2D6
SCHEMBL12289272 0.83 PTGER4 (0.47) PTGER4CYP1A2CYP2D6
SCHEMBL4196361 0.83 PTGER4 (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026270-B2 Benzo [F] isoindoles as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-27 US disclosed