SCHEMBL691924

SCHEMBL691924

C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1F)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 15/20 0.76
PTGER2 P43116 3/20 0.63
MAPK8 P45983 1/20 0.48
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 2/20 0.48
SCN9A Q15858 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 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
SCHEMBL1285388 0.92 PTGER4 (0.86) PTGER4PTGER2
SCHEMBL19714369 0.92 PTGER4 (0.86) PTGER4PTGER2
SCHEMBL692240 0.90 PTGER4 (0.72) PTGER4PTGER2MAPK8ROCK2ROCK1
SCHEMBL691905 0.89 PTGER4 (0.77) PTGER4PTGER2MAPK8ROCK2ROCK1
SCHEMBL5367764 0.86 PTGER4 (0.68) PTGER4PTGER2SCN9A
SCHEMBL691840 0.86 PTGER4 (0.75) PTGER4PTGER2MAPK8ALDH1A1HPGD
SCHEMBL692029 0.85 PTGER4 (0.69) PTGER4PTGER2MAPK8ROCK2ROCK1
SCHEMBL19713760 0.85 PTGER4 (0.82) PTGER4PTGER2
SCHEMBL2347975 0.85 PTGER4 (0.82) PTGER4PTGER2
SCHEMBL30114906 0.85 PTGER4 (0.82) 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