SCHEMBL28690240

SCHEMBL28690240

CCc1cccc(Oc2c(C(=O)NC(C)c3ccc(C(=O)O)cc3)c(C)nn2C)c1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 17/20 0.74
▸ PTGER2 P43116 3/20 0.60
▸ PHGDH O43175 3/20 0.48

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
SCHEMBL24861863 1.00 PTGER4 (0.74) PTGER4PTGER2PHGDH
SCHEMBL28708481 0.93 PTGER4 (0.64) PTGER4PTGER2PHGDH
SCHEMBL24861965 0.93 PTGER4 (0.64) PTGER4PTGER2PHGDH
SCHEMBL24861966 0.92 PTGER4 (0.62) PTGER4PTGER2PHGDH
SCHEMBL28708484 0.91 PTGER4 (0.61) PTGER4PTGER2PHGDH
SCHEMBL26416721 0.90 PTGER4 (0.80) PTGER4PTGER2PHGDH
SCHEMBL15249889 0.89 PTGER4 (0.79) PTGER4PTGER2PHGDH
SCHEMBL24861732 0.89 PTGER4 (0.82) PTGER4PTGER2PHGDH
SCHEMBL26088277 0.89 PTGER4 (0.82) PTGER4PTGER2PHGDH
SCHEMBL26416642 0.88 PTGER4 (0.77) PTGER4PTGER2PHGDH

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
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