SCHEMBL691764

SCHEMBL691764

C[C@H](NC(=O)c1cc(Cl)cnc1OCc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 14/20 0.61
INPPL1 O15357 1/20 0.58
PTGER2 P43116 3/20 0.53
PTGER1 P34995 2/20 0.48
MAPK1 P28482 1/20 0.48
GPR139 Q6DWJ6 1/20 0.47

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
SCHEMBL26914667 0.91 PTGER4 (0.75) PTGER4PTGER2
SCHEMBL1284749 0.91 PTGER4 (0.75) PTGER4PTGER2
SCHEMBL4015056 0.88 PTGER4 (0.62) PTGER4INPPL1PTGER2
SCHEMBL691681 0.86 PTGER4 (0.63) PTGER4PTGER2MAPK1GPR139
SCHEMBL690994 0.81 PTGER4 (0.72) PTGER4PTGER2
SCHEMBL692072 0.81 PTGER4 (0.71) PTGER4PTGER2GPR139
SCHEMBL26914666 0.80 PTGER4 (0.75) PTGER4PTGER2
SCHEMBL1285383 0.80 PTGER4 (0.75) PTGER4PTGER2
SCHEMBL4013890 0.78 PTGER4 (0.60) PTGER4PTGER2MAPK1
SCHEMBL692450 0.78 PTGER4 (0.68) PTGER4PTGER2GPR139

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