SCHEMBL18009457

SCHEMBL18009457

COC(=O)/C=C/C(=O)O[C@H]1CN[C@H](C(=O)N2CCOC(=O)C2)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.33
▸ DPP4 P27487 1/20 0.32

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
SCHEMBL18009448 0.84 DPP4 (0.39) HRH3DPP4
SCHEMBL18009454 0.81 HRH3 (0.38) HRH3DPP4
SCHEMBL18009455 0.79 DPP4 (0.40) HRH3DPP4
SCHEMBL18009276 0.72 HCAR2 (0.41) —
SCHEMBL18009286 0.72 HCAR2 (0.41) —
SCHEMBL18009201 0.71 HCAR2 (0.39) —
SCHEMBL18009198 0.70 HCAR2 (0.38) —
SCHEMBL18009311 0.69 GLA (0.39) —
SCHEMBL18009453 0.68 — —
SCHEMBL18009449 0.68 KDM4E (0.30) DPP4

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-2016127186-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-08-11 — — WO disclosed
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