SCHEMBL9306488

SCHEMBL9306488

COC(=O)C=CCCCCCCC1CO1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
EPHX2 P34913 1/20 0.39
ENPP2 Q13822 10/20 0.38
LPAR2 Q9HBW0 7/20 0.38
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36

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
SCHEMBL29626440 0.81 HCAR2 (0.55) ALDH1A1EPHX2KEAP1NFE2L2HCAR2
SCHEMBL31681514 0.81 HCAR2 (0.55) ALDH1A1EPHX2KEAP1NFE2L2HCAR2
SCHEMBL16287745 0.79 HCAR2 (0.40) ALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL23533375 0.77 KEAP1 (0.35) KEAP1NFE2L2HCAR2
SCHEMBL19331756 0.77 EPHX2 (0.51) ALDH1A1EPHX2
SCHEMBL19331621 0.77 EPHX2 (0.51) ALDH1A1EPHX2
SCHEMBL19331695 0.77 EPHX2 (0.51) ALDH1A1EPHX2
SCHEMBL28635106 0.76 HCAR2 (0.44) ALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL27354005 0.76 HCAR2 (0.44) ALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL29626505 0.75 HCAR2 (0.57) ALDH1A1KEAP1NFE2L2HCAR2

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
US-5344946-A Catalytic oxidation of olefins with hydrogen peroxide SOLVAY INTEROX GMBH (DE) 1994-09-06 US disclosed