SCHEMBL4433852

SCHEMBL4433852

Cc1cc(C(=O)NCC2CCN(C(=O)OCC(C)C)CC2)nn1Cc1cc(S(C)(=O)=O)cc2cc(-c3ccccc3)oc12

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 17/20 0.58
USP30 Q70CQ3 1/20 0.41
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL3212010 0.90 PTGER1 (0.60) PTGER1USP30
SCHEMBL3215714 0.88 PTGER1 (0.70) PTGER1USP30
SCHEMBL3220347 0.87 PTGER1 (0.68) PTGER1USP30
SCHEMBL4428672 0.85 PTGER1 (0.65) PTGER1
SCHEMBL13424487 0.85 PTGER1 (0.80) PTGER1USP30
Hydrochloric Acid SCHEMBL3216771 0.84 PTGER1 (0.78) PTGER1USP30
SCHEMBL3220965 0.83 PTGER1 (0.63) PTGER1
SCHEMBL4431811 0.82 PTGER1 (0.62) PTGER1
SCHEMBL3214559 0.82 PTGER1 (0.78) PTGER1
SCHEMBL3203681 0.82 PTGER1 (0.77) PTGER1

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-2129670-A2 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR Glaxo Group Limited (GB) 2009-12-09 EP disclosed
WO-2008098978-A2 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-08-21 WO disclosed