SCHEMBL881498

SCHEMBL881498

Cc1ccc(Oc2c(C(=O)N[C@@H](C)c3ccc(C(=O)O)cc3)c(C)nn2C)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 10/20 0.68
▸ PTGER2 P43116 1/20 0.55
▸ PHGDH O43175 9/20 0.52
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 1/20 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
SCHEMBL10122334 0.94 PTGER4 (0.77) PTGER4PTGER2PHGDHKDM4EMAPT
SCHEMBL15249912 0.89 PTGER4 (0.67) PTGER4PTGER2PHGDHKDM4EMAPT
SCHEMBL881393 0.88 PTGER4 (0.72) PTGER4PTGER2PHGDHKDM4EMAPT
SCHEMBL881501 0.88 PTGER4 (0.69) PTGER4PTGER2PHGDHKDM4EMAPT
SCHEMBL881409 0.87 PTGER4 (0.79) PTGER4PTGER2PHGDH
SCHEMBL881499 0.86 PTGER4 (0.69) PTGER4PTGER2PHGDHKDM4EMAPT
SCHEMBL15249966 0.86 PTGER4 (0.67) PTGER4PTGER2PHGDHKDM4EMAPT
SCHEMBL881424 0.85 PTGER4 (0.71) PTGER4PTGER2PHGDHKDM4EMAPT
SCHEMBL15249889 0.85 PTGER4 (0.79) PTGER4PTGER2PHGDH
SCHEMBL881184 0.85 PTGER4 (0.70) PTGER4PTGER2PHGDHKDM4EMAPT

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
WO-2012039972-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-03-29 — — WO disclosed
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