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Erucin

Erucin

SCHEMBL7579439

CSC=CCCN=C=S.CSCCCCN=C=S

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 9/20 0.68
▸ NAAA Q02083 1/20 0.39
▸ MIF P14174 4/20 0.35
▸ KEAP1 Q14145 2/20 0.35
▸ NFE2L2 Q16236 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ BACH1 O14867 1/20 0.35
▸ MAFK O60675 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ XPO1 O14980 1/20 0.31

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
SCHEMBL432819 0.86 — —
SCHEMBL432818 0.86 — —
Erucin SCHEMBL435774 0.82 — —
SCHEMBL2679812 0.80 TRPA1 (1.00) TRPA1NAAAMIFKEAP1NFE2L2
SCHEMBL1020887 0.80 TRPA1 (1.00) TRPA1NAAAMIFKEAP1NFE2L2
SCHEMBL25332310 0.80 TRPA1 (1.00) TRPA1NAAAMIFKEAP1NFE2L2
SCHEMBL3115548 0.80 TRPA1 (1.00) TRPA1NAAAMIFKEAP1NFE2L2
SCHEMBL5352877 0.80 TRPA1 (1.00) TRPA1NAAAMIFKEAP1NFE2L2
SCHEMBL3123984 0.80 TRPA1 (1.00) TRPA1NAAAMIFKEAP1NFE2L2
SCHEMBL668271 0.76 — —

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-2002087388-A1 CONTAINER FOR CLEANING IMPLEMENTS, IN ADDITION TO AN INSERTION BODY, TOOTHBRUSH AND RESERVOIR NEUFELD KLAUS (AT) 2002-11-07 — — WO disclosed