SCHEMBL6033629

SCHEMBL6033629

O=C(O)C1CCCCC1CN1C(=O)C=CC1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 5/20 0.36
TAAR1 Q96RJ0 3/20 0.35
NFE2L2 Q16236 3/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS1 P23219 5/20 0.35
PTGS2 P35354 5/20 0.35

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
SCHEMBL29046998 0.79 ALDH1A1 (0.31)
SCHEMBL26664981 0.78 PTGS1 (0.37) KEAP1PTGS1PTGS2
SCHEMBL3781297 0.78 KEAP1 (0.56) KEAP1NFE2L2ATML3MBTL1
SCHEMBL29047000 0.77 ALDH1A1 (0.30)
SCHEMBL5492922 0.76 KEAP1 (0.32) KEAP1
SCHEMBL13674077 0.75 MGLL (0.34) PTGS1PTGS2
Bicarbonate SCHEMBL2319198 0.75 TRPA1 (0.46) PTGS1PTGS2
SCHEMBL25922506 0.75 MGLL (0.39) PTGS1PTGS2
SCHEMBL3787721 0.74 KEAP1 (0.56) KEAP1NFE2L2ATML3MBTL1
SCHEMBL16804113 0.74 KMT2A (0.44) L3MBTL1

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-2006069366-A1 METHODS OF PROTEIN PROFILING BY THIOLATION INTEL CORPORATION (US) 2006-06-29 WO disclosed