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SCHEMBL28708484

SCHEMBL28708484

CCc1cccc(Oc2c(C(=O)NC(C)c3ccc(C(=O)O)c(C)c3)c(C)nn2C)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 11/20 0.61
▸ PTGER2 P43116 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PHGDH O43175 5/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ JAK3 P52333 1/20 0.38

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
SCHEMBL28690240 0.91 PTGER4 (0.74) PTGER4PTGER2PHGDH
SCHEMBL24861863 0.91 PTGER4 (0.74) PTGER4PTGER2PHGDH
SCHEMBL28702064 0.90 PTGER4 (0.67) PTGER4PTGER2JAK2JAK1JAK3
SCHEMBL24861966 0.88 PTGER4 (0.62) PTGER4PTGER2MAPTPHGDHJAK2
SCHEMBL24861965 0.87 PTGER4 (0.64) PTGER4PTGER2PHGDH
SCHEMBL28708481 0.87 PTGER4 (0.64) PTGER4PTGER2PHGDH
SCHEMBL28699763 0.85 PTGER4 (0.73) PTGER4PTGER2KDM4EMAPT
SCHEMBL28686331 0.83 PTGER4 (0.66) PTGER4PTGER2PHGDH
SCHEMBL28962837 0.82 PTGER4 (0.67) PTGER4PTGER2
SCHEMBL28701956 0.81 PTGER4 (0.61) PTGER4PTGER2KDM4EMAPTPHGDH

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