SCHEMBL3139937

SCHEMBL3139937

O=C(O)Oc1ccc(CCCN2C(=O)CCC[C@@H]2/C=C/[C@@H](O)C(F)(F)c2ccccc2)s1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 17/20 0.46
PTGER3 P43115 5/20 0.46
PTGER2 P43116 6/20 0.46

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
SCHEMBL2212075 0.88 PTGER2 (0.59) PTGER4PTGER3PTGER2
SCHEMBL2212084 0.88 PTGER2 (0.59) PTGER4PTGER3PTGER2
SCHEMBL3126929 0.87 PTGER2 (0.39) PTGER4PTGER3PTGER2
SCHEMBL2213017 0.85 PTGER2 (0.52) PTGER4PTGER3PTGER2
SCHEMBL2213022 0.85 PTGER2 (0.52) PTGER4PTGER3PTGER2
SCHEMBL3123473 0.83 PTGER4 (0.40) PTGER4PTGER3PTGER2
SCHEMBL3137332 0.83 PTGER4 (0.40) PTGER4PTGER3PTGER2
SCHEMBL5953682 0.83 PTGER2 (0.65) PTGER4PTGER3PTGER2
SCHEMBL5953685 0.83 PTGER2 (0.65) PTGER4PTGER3PTGER2
SCHEMBL3136994 0.82 PTGER4 (0.44) 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