SCHEMBL26860467

SCHEMBL26860467

C/N=C1\CC(O)(CO)CC(NC(C(=O)O)C(C)O)=C1OC

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.78
▸ NFE2L2 Q16236 2/20 0.78

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
SCHEMBL29378881 0.88 KEAP1 (1.00) KEAP1NFE2L2
SCHEMBL29699866 0.80 KEAP1 (0.86) KEAP1NFE2L2
SCHEMBL24473720 0.77 KEAP1 (0.60) KEAP1NFE2L2
SCHEMBL29908080 0.75 KEAP1 (0.78) KEAP1NFE2L2
SCHEMBL25046238 0.75 KEAP1 (0.78) KEAP1NFE2L2
SCHEMBL19129823 0.75 KEAP1 (0.59) KEAP1NFE2L2
SCHEMBL13532042 0.75 KEAP1 (0.59) KEAP1NFE2L2
SCHEMBL29698477 0.73 KEAP1 (0.78) KEAP1NFE2L2
SCHEMBL19146576 0.72 KEAP1 (0.56) KEAP1NFE2L2
SCHEMBL29358083 0.72 KEAP1 (1.00) KEAP1NFE2L2

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-2023230336-A2 BIOCATALYTIC SYNTHESIS OF UNNATURAL MYCOSPORINE-LIKE AMINO ACIDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-11-30 — — WO disclosed
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