SCHEMBL28699747

SCHEMBL28699747

CSc1cccc(Oc2c(C(=O)NC(C)c3ccc(C(=O)O)c(C)c3)c(C(F)F)nn2C)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 17/20 0.67
PTGER2 P43116 3/20 0.63
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
PHGDH O43175 2/20 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
SCHEMBL28692151 0.92 PTGER4 (0.65) PTGER4PTGER2
SCHEMBL24861775 0.90 PTGER4 (0.82) PTGER4PTGER2PHGDH
SCHEMBL26417103 0.90 PTGER4 (0.82) PTGER4PTGER2PHGDH
SCHEMBL28702082 0.90 PTGER4 (0.75) PTGER4PTGER2ROCK2ROCK1
SCHEMBL28699775 0.88 PTGER4 (0.71) PTGER4PTGER2PHGDH
SCHEMBL28702064 0.87 PTGER4 (0.67) PTGER4PTGER2
SCHEMBL28692174 0.87 PTGER4 (0.67) PTGER4PTGER2ROCK2ROCK1PHGDH
SCHEMBL28686331 0.87 PTGER4 (0.66) PTGER4PTGER2PHGDH
SCHEMBL28709433 0.87 PTGER4 (0.73) PTGER4PTGER2
SCHEMBL28708268 0.87 PTGER4 (0.66) PTGER4PTGER2ROCK2ROCK1PHGDH

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