SCHEMBL30892082

SCHEMBL30892082

COC1=C(NCC(=O)O)CC(O)(CO)CC1=N[C@@H](CO)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.55
▸ NFE2L2 Q16236 2/20 0.55

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
SCHEMBL13532040 1.00 KEAP1 (0.55) KEAP1NFE2L2
SCHEMBL19129822 1.00 KEAP1 (0.55) KEAP1NFE2L2
SCHEMBL26859889 0.91 KEAP1 (0.51) KEAP1NFE2L2
SCHEMBL24473698 0.89 KEAP1 (0.54) KEAP1NFE2L2
SCHEMBL26859878 0.88 KEAP1 (0.48) KEAP1NFE2L2
SCHEMBL19129847 0.88 KEAP1 (0.54) KEAP1NFE2L2
SCHEMBL24473722 0.88 KEAP1 (0.54) KEAP1NFE2L2
SCHEMBL13532041 0.87 KEAP1 (0.55) KEAP1NFE2L2
SCHEMBL19130207 0.86 KEAP1 (0.55) KEAP1NFE2L2
SCHEMBL13532042 0.85 KEAP1 (0.59) 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
CN-115851807-B Recombinant organism and method for producing multiple kinds of cyclosporine amino acid 深圳市灵蛛科技有限公司 2024-04-30 — — CN disclosed
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