SCHEMBL3135447

SCHEMBL3135447

CC(C)C(CCCCCN1C(=O)SCC[C@@H]1/C=C/[C@@H](O)C(F)(F)c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 17/20 0.46
PTGER3 P43115 10/20 0.46
PTGER2 P43116 8/20 0.40
PTGER1 P34995 1/20 0.36

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
SCHEMBL3675239 0.87 PTGER4 (0.61) PTGER4PTGER3PTGER2PTGER1
SCHEMBL2212166 0.86 PTGER4 (0.59) PTGER4PTGER3PTGER2PTGER1
SCHEMBL2212173 0.86 PTGER4 (0.59) PTGER4PTGER3PTGER2PTGER1
SCHEMBL3139056 0.86 PTGER4 (0.55) PTGER4PTGER3PTGER2PTGER1
SCHEMBL3137356 0.85 PTGER4 (0.46) PTGER4PTGER3PTGER2
SCHEMBL3127098 0.85 PTGER4 (0.46) PTGER4PTGER3PTGER2
SCHEMBL2238729 0.85 PTGER4 (0.46) PTGER4PTGER3PTGER2
SCHEMBL2212933 0.84 PTGER4 (0.49) PTGER4PTGER3PTGER2PTGER1
SCHEMBL2212931 0.84 PTGER4 (0.49) PTGER4PTGER3PTGER2PTGER1
SCHEMBL3682249 0.80 PTGER4 (0.62) PTGER4PTGER3PTGER2

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