SCHEMBL4767598

SCHEMBL4767598

CC(C)OC(=O)c1ccc(CCCN2C(=O)OCC[C@@H]2C=CC(O)C(F)(F)c2cccc(Br)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 15/20 0.40
PTGER2 P43116 10/20 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
SCHEMBL4112604 1.00 PTGER4 (0.40) PTGER4PTGER2
SCHEMBL4110781 1.00 PTGER4 (0.40) PTGER4PTGER2
SCHEMBL4112612 1.00 PTGER4 (0.40) PTGER4PTGER2
SCHEMBL4110775 1.00 PTGER4 (0.40) PTGER4PTGER2
SCHEMBL4113519 0.93 PTGER4 (0.43) PTGER4PTGER2
SCHEMBL4113525 0.93 PTGER4 (0.43) PTGER4PTGER2
SCHEMBL4793093 0.93 PTGER4 (0.43) PTGER4PTGER2
SCHEMBL14610107 0.92 PTGER4 (0.40) PTGER4PTGER2
SCHEMBL2210793 0.92 PTGER4 (0.46) PTGER4PTGER2
SCHEMBL2210801 0.92 PTGER4 (0.46) PTGER4PTGER2

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-1912977-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF Merck Frosst Canada Ltd. (CA) 2008-04-23 EP claimed
WO-2007014454-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2007-02-08 WO claimed