SCHEMBL691840

SCHEMBL691840

C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(Cl)c1Cl)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 16/20 0.75
PTGER2 P43116 3/20 0.60
MAPK8 P45983 1/20 0.50
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
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
SCHEMBL19713899 0.92 PTGER4 (0.85) PTGER4PTGER2
SCHEMBL1285129 0.92 PTGER4 (0.85) PTGER4PTGER2
SCHEMBL5362743 0.89 PTGER4 (0.72) PTGER4PTGER2
SCHEMBL691924 0.86 PTGER4 (0.76) PTGER4PTGER2MAPK8ALDH1A1HPGD
SCHEMBL691905 0.84 PTGER4 (0.77) PTGER4PTGER2MAPK8
SCHEMBL692072 0.84 PTGER4 (0.71) PTGER4PTGER2MAPK8ALDH1A1HPGD
SCHEMBL692450 0.83 PTGER4 (0.68) PTGER4PTGER2MAPK8MEN1KMT2A
SCHEMBL692240 0.83 PTGER4 (0.72) PTGER4PTGER2MAPK8
SCHEMBL30114772 0.83 PTGER4 (0.84) PTGER4PTGER2
SCHEMBL2348734 0.83 PTGER4 (0.84) 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