SCHEMBL3136146

SCHEMBL3136146

O=C(O)COCCCCN1C(=O)CCC[C@@H]1C=C(F)[C@H](O)C(F)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 20/20 0.47
PTGER2 P43116 4/20 0.44
PTGER1 P34995 2/20 0.41
PTGER3 P43115 4/20 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
SCHEMBL3673949 0.79 PTGER4 (0.47) PTGER4PTGER2PTGER1PTGER3
SCHEMBL3674055 0.79 PTGER4 (0.45) PTGER4PTGER2PTGER1PTGER3
SCHEMBL3679934 0.77 PTGER4 (0.46) PTGER4PTGER2PTGER1PTGER3
SCHEMBL1378976 0.76 PTGER4 (0.70) PTGER4PTGER2PTGER3
SCHEMBL1378979 0.76 PTGER4 (0.70) PTGER4PTGER2PTGER3
SCHEMBL1378974 0.76 PTGER4 (0.70) PTGER4PTGER2PTGER3
SCHEMBL1378982 0.76 PTGER4 (0.70) PTGER4PTGER2PTGER3
SCHEMBL2210033 0.76 PTGER4 (0.62) PTGER4PTGER2PTGER1PTGER3
SCHEMBL2210027 0.76 PTGER4 (0.62) PTGER4PTGER2PTGER1PTGER3
SCHEMBL1381087 0.74 PTGER4 (0.51) PTGER4PTGER2PTGER1PTGER3

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
EP-1613621-B1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA LTD (CA) 2010-07-21 EP claimed