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Sugi Predict / Compounds / SCHEMBL26656178

SCHEMBL26656178

SCHEMBL26656178

CC(C)=CCC/C(C)=C/CC/C(C)=C/COC1OCc2cnc(C)c(N=O)c21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.41
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ ALOX15 P16050 6/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PTGES O14684 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
SCHEMBL26656459 0.88 NFE2L2 (0.33) NFE2L2PSEN1
SCHEMBL26655809 0.86 NFE2L2 (0.41) NFE2L2FNTAFNTBALOX15TRPV1
SCHEMBL21215201 0.85 NFE2L2 (0.42) NFE2L2ALOX15TRPV1TDP1ALDH1A1
Hydrochloric Acid SCHEMBL23003280 0.84 NFE2L2 (0.41) NFE2L2ALOX15TRPV1TDP1ALDH1A1
Hydrochloric Acid SCHEMBL23003279 0.84 NFE2L2 (0.41) NFE2L2ALOX15TRPV1TDP1ALDH1A1
SCHEMBL26655552 0.79 NFE2L2 (0.36) NFE2L2
SCHEMBL26655637 0.74 NFE2L2 (0.34) NFE2L2ALDH1A1
SCHEMBL21215160 0.74 NFE2L2 (0.33) NFE2L2PSEN1
SCHEMBL26655820 0.73 — —
SCHEMBL23027246 0.69 — —

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
EP-3743410-B1 USE OF PYRIDOXAL ACETAL SALTS AS WATER-TRIGGERED PROFRAGRANCES FLORIDA GULF COAST UNIV BOARD OF TRUSTEES (US) 2023-10-25 — — EP disclosed