SCHEMBL692072

SCHEMBL692072

C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cc(Cl)cc(Cl)c1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 16/20 0.71
PTGER2 P43116 3/20 0.66
MAPK8 P45983 1/20 0.58
GPR139 Q6DWJ6 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL691810 0.90 PTGER4 (0.73) PTGER4PTGER2MAPK8
SCHEMBL1285095 0.90 PTGER4 (0.85) PTGER4PTGER2
SCHEMBL19714302 0.90 PTGER4 (0.85) PTGER4PTGER2
SCHEMBL692450 0.88 PTGER4 (0.68) PTGER4PTGER2MAPK8GPR139
SCHEMBL5357542 0.87 PTGER4 (0.71) PTGER4PTGER2MAPK8
SCHEMBL692029 0.87 PTGER4 (0.69) PTGER4PTGER2MAPK8
SCHEMBL5359123 0.86 PTGER4 (0.88) PTGER4PTGER2MAPK8
SCHEMBL691746 0.86 PTGER4 (0.88) PTGER4PTGER2MAPK8
SCHEMBL691956 0.85 PTGER4 (0.79) PTGER4PTGER2
SCHEMBL5364337 0.84 PTGER4 (0.75) PTGER4PTGER2MAPK8

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