SCHEMBL2211071

SCHEMBL2211071

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

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 20/20 0.45
PTGER3 P43115 8/20 0.45
PTGER2 P43116 6/20 0.44

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
SCHEMBL2211077 1.00 PTGER4 (0.45) PTGER4PTGER3PTGER2
SCHEMBL3139056 0.85 PTGER4 (0.55) PTGER4PTGER3PTGER2
SCHEMBL2427070 0.85 PTGER4 (0.57) PTGER4PTGER3PTGER2
SCHEMBL2427076 0.85 PTGER4 (0.57) PTGER4PTGER3PTGER2
SCHEMBL2211076 0.84 PTGER4 (0.49) PTGER4PTGER3PTGER2
SCHEMBL2211135 0.84 PTGER4 (0.49) PTGER4PTGER3PTGER2
SCHEMBL12324925 0.84 PTGER4 (0.48) PTGER4PTGER3PTGER2
SCHEMBL3675239 0.80 PTGER4 (0.61) PTGER4PTGER3PTGER2
SCHEMBL3683263 0.79 PTGER4 (0.52) PTGER4PTGER3PTGER2
SCHEMBL3682249 0.77 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 3 patents. 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
US-RE42562-E1 EP4 receptor agonist, compositions and methods thereof MERCK FROSST CANADA (CA) 2011-07-19 US disclosed
US-7053085-B2 A piperidin-2-one, 1,3-oxazinan-2-one, or 1,3-thiazinan-2-one compound for treatment of glaucoma, mediating the bone modeling and remodeling processes of the osteoblasts and osteoclasts; 7-{(4S)-4-[(3R)-3-hydroxy-4-phenylbutyl]-2-oxo-1,3-oxazinan-3-yl}heptanoic acid; side effect reduction MERCK & CO. INC. (US) 2006-05-30 US disclosed