SCHEMBL26859845

SCHEMBL26859845

COC1=C(N)C[C@@](O)(CO)C/C1=N\[C@@H](CCCN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.41
▸ NFE2L2 Q16236 2/20 0.41

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
SCHEMBL26859864 0.89 KEAP1 (0.43) KEAP1NFE2L2
SCHEMBL29698480 0.87 KEAP1 (0.47) KEAP1NFE2L2
SCHEMBL26859878 0.83 KEAP1 (0.48) KEAP1NFE2L2
SCHEMBL29358165 0.78 KEAP1 (0.51) KEAP1NFE2L2
SCHEMBL26860484 0.76 — —
SCHEMBL26860470 0.73 KEAP1 (0.61) KEAP1NFE2L2
SCHEMBL29698445 0.73 KEAP1 (0.61) KEAP1NFE2L2
SCHEMBL26859847 0.72 KEAP1 (0.46) KEAP1NFE2L2
SCHEMBL26859889 0.72 KEAP1 (0.51) KEAP1NFE2L2
SCHEMBL13532041 0.71 KEAP1 (0.55) 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
Send feedback