SCHEMBL18009407

SCHEMBL18009407

COC(=O)/C=C/C(=O)O[C@@H]1C[C@@H](CC(N)=O)N(C(=O)C(C)C)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.33
▸ KEAP1 Q14145 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL18009399 0.86 MMP2 (0.34) KEAP1NFE2L2HCAR2
SCHEMBL18009212 0.86 MMP2 (0.34) KEAP1NFE2L2HCAR2
SCHEMBL18009406 0.84 PIK3CD (0.31) PIK3CD
SCHEMBL18009211 0.82 GLA (0.34) —
SCHEMBL18007441 0.81 PIN1 (0.35) PIK3CDKEAP1NFE2L2HCAR2
SCHEMBL18009194 0.78 PEPD (0.39) PIK3CDKEAP1NFE2L2HCAR2
SCHEMBL18009192 0.78 PIK3CD (0.36) PIK3CDKEAP1NFE2L2HCAR2
SCHEMBL18009388 0.75 PEPD (0.34) PIK3CDKEAP1NFE2L2HCAR2
SCHEMBL18009372 0.75 PIK3CD (0.34) PIK3CDKEAP1NFE2L2HCAR2
SCHEMBL18009295 0.75 PIK3CD (0.34) PIK3CDKEAP1NFE2L2HCAR2

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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