SCHEMBL691905

SCHEMBL691905

C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cc(F)ccc1F)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 17/20 0.77
PTGER2 P43116 5/20 0.67
GAA P10253 1/20 0.49
MAPK8 P45983 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
SCHEMBL1284486 0.91 PTGER4 (0.86) PTGER4PTGER2
SCHEMBL19713696 0.91 PTGER4 (0.86) PTGER4PTGER2
SCHEMBL691924 0.89 PTGER4 (0.76) PTGER4PTGER2MAPK8ROCK2ROCK1
SCHEMBL692240 0.87 PTGER4 (0.72) PTGER4PTGER2MAPK8ROCK2ROCK1
SCHEMBL691810 0.87 PTGER4 (0.73) PTGER4PTGER2MAPK8ROCK2ROCK1
SCHEMBL692029 0.86 PTGER4 (0.69) PTGER4PTGER2MAPK8ROCK2ROCK1
SCHEMBL19714525 0.85 PTGER4 (0.82) PTGER4PTGER2
SCHEMBL691618 0.85 PTGER4 (0.82) PTGER4PTGER2
SCHEMBL15300350 0.85 PTGER4 (0.65) PTGER4PTGER2
SCHEMBL5362403 0.85 PTGER4 (0.68) 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