SCHEMBL28686331

SCHEMBL28686331

Cc1cc(C(C)NC(=O)c2c(C(F)F)nn(C)c2Oc2cccc(CC(F)F)c2)ccc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 17/20 0.66
PTGER2 P43116 3/20 0.62
TP53 P04637 1/20 0.35
PHGDH O43175 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34

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
SCHEMBL28702064 0.93 PTGER4 (0.67) PTGER4PTGER2TP53
SCHEMBL28962837 0.91 PTGER4 (0.67) PTGER4PTGER2
SCHEMBL24861827 0.90 PTGER4 (0.81) PTGER4PTGER2PHGDH
SCHEMBL24861829 0.90 PTGER4 (0.81) PTGER4PTGER2PHGDH
SCHEMBL28702082 0.89 PTGER4 (0.75) PTGER4PTGER2
SCHEMBL28699775 0.87 PTGER4 (0.71) PTGER4PTGER2PHGDH
SCHEMBL28692174 0.87 PTGER4 (0.67) PTGER4PTGER2PHGDH
SCHEMBL28699747 0.87 PTGER4 (0.67) PTGER4PTGER2PHGDH
SCHEMBL24861747 0.86 PTGER4 (0.69) PTGER4PTGER2PHGDHACACBACACA
SCHEMBL24861745 0.86 PTGER4 (0.69) PTGER4PTGER2PHGDHACACBACACA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354585-A Synthesis of novel EP4 antagonists and their use in cancer and inflammation 湖北生物医药产业技术研究院有限公司 2021-09-07 CN disclosed