SCHEMBL26859860

SCHEMBL26859860

COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N\CCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.53
▸ NFE2L2 Q16236 2/20 0.53
▸ THRB P10828 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
SCHEMBL31735947 0.86 KEAP1 (0.69) KEAP1NFE2L2
SCHEMBL24473700 0.86 KEAP1 (0.69) KEAP1NFE2L2
SCHEMBL26859847 0.81 KEAP1 (0.46) KEAP1NFE2L2THRB
SCHEMBL24473698 0.80 KEAP1 (0.54) KEAP1NFE2L2
SCHEMBL24473695 0.79 KEAP1 (0.48) KEAP1NFE2L2
SCHEMBL24473722 0.79 KEAP1 (0.54) KEAP1NFE2L2
SCHEMBL19129847 0.79 KEAP1 (0.54) KEAP1NFE2L2
SCHEMBL19129846 0.79 KEAP1 (0.48) KEAP1NFE2L2
SCHEMBL26859889 0.78 KEAP1 (0.51) KEAP1NFE2L2
SCHEMBL19146576 0.78 KEAP1 (0.56) 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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