SCHEMBL5760977

SCHEMBL5760977

O=C(O)c1ccc(CCCN2C(=O)CCC[C@@H]2CCC(O)Cc2ccccc2)s1

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.77
PTGER3 P43115 1/20 0.77
PTGER4 P35408 2/20 0.71
PTGER2 P43116 1/20 0.54

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
SCHEMBL2212907 1.00 PTGER1 (0.77) PTGER1PTGER3PTGER4PTGER2
SCHEMBL12288892 1.00 PTGER1 (0.77) PTGER1PTGER3PTGER4PTGER2
SCHEMBL4995453 0.95 PTGER1 (0.85) PTGER1PTGER3PTGER4PTGER2
SCHEMBL12288895 0.89 PTGER1 (0.63) PTGER1PTGER3PTGER4PTGER2
SCHEMBL2210231 0.89 PTGER1 (0.63) PTGER1PTGER3PTGER4PTGER2
SCHEMBL4987013 0.88 PTGER1 (0.75) PTGER1PTGER3PTGER4PTGER2
SCHEMBL4993351 0.88 PTGER1 (0.75) PTGER1PTGER3PTGER4PTGER2
SCHEMBL4992003 0.87 PTGER1 (1.00) PTGER1PTGER3PTGER4
SCHEMBL4990731 0.87 PTGER1 (0.74) PTGER1PTGER3PTGER4
SCHEMBL4996181 0.87 PTGER3 (0.73) PTGER1PTGER3PTGER4PTGER2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006520758-A 2006-09-14 JP claimed
EP-1613621-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS Merck Frosst Canada Ltd. (CA) 2006-01-11 EP claimed
WO-2004085430-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA LTD. (CA) 2004-10-07 WO claimed
EP-1613621-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS Merck Frosst Canada Ltd. (CA) 2006-01-11 EP disclosed
WO-2004085430-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA LTD. (CA) 2004-10-07 WO disclosed