SCHEMBL3123473

SCHEMBL3123473

O=C(O)Oc1ccc(/C=C\CN2C(=O)CCC[C@@H]2/C=C/[C@@H](O)C(F)(F)c2ccccc2)s1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 19/20 0.40
PTGER3 P43115 6/20 0.40
PTGER2 P43116 7/20 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
SCHEMBL3137332 1.00 PTGER4 (0.40) PTGER4PTGER3PTGER2
SCHEMBL2211659 0.88 PTGER4 (0.41) PTGER4PTGER3PTGER2
SCHEMBL2211403 0.88 PTGER4 (0.41) PTGER4PTGER3PTGER2
SCHEMBL2211409 0.88 PTGER4 (0.41) PTGER4PTGER3PTGER2
SCHEMBL3139937 0.83 PTGER4 (0.46) PTGER4PTGER3PTGER2
SCHEMBL2208505 0.78 PTGER4 (0.53) PTGER4PTGER3PTGER2
SCHEMBL2208514 0.78 PTGER4 (0.53) PTGER4PTGER3PTGER2
SCHEMBL2212490 0.78 PTGER4 (0.53) PTGER4PTGER3PTGER2
SCHEMBL2208452 0.77 PTGER4 (0.45) PTGER4PTGER3PTGER2
SCHEMBL2208446 0.77 PTGER4 (0.45) 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