SCHEMBL16048992

SCHEMBL16048992

COC(C)OC(=O)C=CC#N

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.36
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL8416578 0.83 HCAR2 (0.50) HCAR2KEAP1NFE2L2
SCHEMBL2890669 0.83 HCAR2 (0.50) HCAR2KEAP1NFE2L2
SCHEMBL2899497 0.83 HCAR2 (0.50) HCAR2KEAP1NFE2L2
SCHEMBL230497 0.81 HCAR2 (0.56) HCAR2
SCHEMBL7538550 0.77 HCAR2 (0.61) HCAR2KEAP1NFE2L2
SCHEMBL1069282 0.77 HCAR2 (0.40) HCAR2KEAP1NFE2L2
SCHEMBL1069278 0.77 HCAR2 (0.40) HCAR2KEAP1NFE2L2
SCHEMBL7538537 0.77 HCAR2 (0.61) HCAR2KEAP1NFE2L2
SCHEMBL35727 0.76 HCAR2 (0.33) HCAR2
SCHEMBL2529840 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
US-20140275419-A1 TWO-PART, CYANOACRYLATE/CATIONICALLY CURABLE ADHESIVE SYSTEMS HENKEL IRELAND LIMITED (DE) 2014-09-18 US disclosed