SCHEMBL692029

SCHEMBL692029

C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)c(F)c1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 17/20 0.69
PTGER2 P43116 5/20 0.69
MAPK8 P45983 1/20 0.54
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48

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
SCHEMBL19713870 0.91 PTGER4 (0.84) PTGER4PTGER2
SCHEMBL1285144 0.91 PTGER4 (0.84) PTGER4PTGER2
SCHEMBL692450 0.89 PTGER4 (0.68) PTGER4PTGER2MAPK8
SCHEMBL691810 0.89 PTGER4 (0.73) PTGER4PTGER2MAPK8ROCK2ROCK1
SCHEMBL8274358 0.88 PTGER4 (0.69) PTGER4PTGER2CNR1CNR2
SCHEMBL692072 0.87 PTGER4 (0.71) PTGER4PTGER2MAPK8
SCHEMBL692240 0.87 PTGER4 (0.72) PTGER4PTGER2MAPK8ROCK2ROCK1
SCHEMBL691905 0.86 PTGER4 (0.77) PTGER4PTGER2MAPK8ROCK2ROCK1
SCHEMBL19713902 0.85 PTGER4 (0.81) PTGER4PTGER2
SCHEMBL2353829 0.85 PTGER4 (0.81) PTGER4PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2422779-A1 SELECTIVE EP4 RECEPTOR AGONISTIC SUBSTANCE FOR TREATMENT OF CANCER RaQualia Pharma Inc (JP) 2012-02-29 EP claimed
EP-3431085-A1 SELECTIVE EP4 RECEPTOR ANTAGONISTIC SUBSTANCE FOR TREATMENT OF CANCER AskAt Inc. (JP) 2019-01-23 EP disclosed
EP-2965756-A1 SELECTIVE EP4 RECEPTOR ANTAGONISTIC SUBSTANCE FOR TREATMENT OF CANCER RaQualia Pharma Inc (JP) 2016-01-13 EP disclosed
EP-2422779-A1 SELECTIVE EP4 RECEPTOR AGONISTIC SUBSTANCE FOR TREATMENT OF CANCER RaQualia Pharma Inc (JP) 2012-02-29 EP disclosed