SCHEMBL692450

SCHEMBL692450

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

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 15/20 0.68
PTGER2 P43116 3/20 0.65
MAPK8 P45983 1/20 0.55
GPR139 Q6DWJ6 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL1285078 0.91 PTGER4 (0.83) PTGER4PTGER2
SCHEMBL692029 0.89 PTGER4 (0.69) PTGER4PTGER2MAPK8
SCHEMBL692072 0.88 PTGER4 (0.71) PTGER4PTGER2MAPK8GPR139
SCHEMBL5358007 0.88 PTGER4 (0.69) PTGER4PTGER2
SCHEMBL691810 0.85 PTGER4 (0.73) PTGER4PTGER2MAPK8
SCHEMBL691746 0.83 PTGER4 (0.88) PTGER4PTGER2MAPK8
SCHEMBL691840 0.83 PTGER4 (0.75) PTGER4PTGER2MAPK8GPR139MEN1
SCHEMBL5359123 0.83 PTGER4 (0.88) PTGER4PTGER2MAPK8
SCHEMBL15300600 0.83 PTGER4 (0.80) PTGER4PTGER2
SCHEMBL5365523 0.83 PTGER4 (0.80) 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