SCHEMBL13942016

SCHEMBL13942016

CCCc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 19/20 0.83
CYP1A2 P05177 1/20 0.83
CYP2D6 P10635 1/20 0.83
PPARG P37231 1/20 0.40

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
SCHEMBL3557529 0.91 PTGER4 (1.00) PTGER4CYP1A2CYP2D6
SCHEMBL4031837 0.90 PTGER4 (0.65) PTGER4CYP1A2CYP2D6PPARG
SCHEMBL13941753 0.90 PTGER4 (0.67) PTGER4CYP1A2CYP2D6
SCHEMBL3566760 0.88 PTGER4 (0.89) PTGER4CYP1A2CYP2D6
SCHEMBL13942671 0.88 PTGER4 (0.80) PTGER4CYP1A2CYP2D6
SCHEMBL3963663 0.87 PTGER4 (0.87) PTGER4CYP1A2CYP2D6PPARG
SCHEMBL14458050 0.87 PTGER4 (0.83) PTGER4CYP1A2CYP2D6
SCHEMBL3557608 0.87 PTGER4 (0.91) PTGER4CYP1A2CYP2D6
SCHEMBL12002020 0.87 PTGER4 (0.62) PTGER4CYP1A2CYP2D6PPARG
SCHEMBL13942573 0.86 PTGER4 (0.89) 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
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