SCHEMBL18009449

SCHEMBL18009449

COC(=O)/C=C/C(=O)O[C@H]1CN[C@H](C(=O)n2ccnc2)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ DPP4 P27487 1/20 0.30

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
SCHEMBL18009453 0.80 — —
SCHEMBL18009455 0.75 DPP4 (0.40) DPP4
SCHEMBL18009286 0.75 HCAR2 (0.41) —
SCHEMBL18009276 0.75 HCAR2 (0.41) KDM4E
SCHEMBL18009201 0.73 HCAR2 (0.39) —
SCHEMBL18009448 0.73 DPP4 (0.39) HTTDPP4
SCHEMBL18009198 0.72 HCAR2 (0.38) —
SCHEMBL18009454 0.72 HRH3 (0.38) DPP4
SCHEMBL18009447 0.71 HCAR2 (0.34) DPP4
SCHEMBL18009187 0.70 HCAR2 (0.36) —

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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