SCHEMBL6442161

SCHEMBL6442161

COC(=O)C=C(C(=O)OC)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL4596276 0.87 HCAR2 (0.42) HCAR2KEAP1NFE2L2NPSR1MAPT
SCHEMBL2992531 0.79 HCAR2 (0.34) HCAR2KEAP1NFE2L2NPSR1
SCHEMBL1450059 0.79 HCAR2 (0.34) HCAR2KEAP1NFE2L2NPSR1
SCHEMBL12026363 0.77 NPSR1 (0.37) HCAR2KEAP1NFE2L2NPSR1ALDH1A1
SCHEMBL29367967 0.76 HCAR2 (0.46) HCAR2KEAP1NFE2L2NPSR1MAPT
SCHEMBL14767817 0.76 HCAR2 (0.46) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL5953576 0.76 HCAR2 (0.46) HCAR2KEAP1NFE2L2NPSR1MAPT
SCHEMBL14012897 0.76 HCAR2 (0.46) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL3051884 0.76 HCAR2 (0.46) HCAR2KEAP1NFE2L2NPSR1MAPT
SCHEMBL3051883 0.76 HCAR2 (0.46) HCAR2KEAP1NFE2L2NPSR1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846783-B2 Acylatign agents and dispersants for lubricating oil and fuels THE LUBRIZOL CORPORATION (US) 2005-01-25 US disclosed
EP-1303578-A2 ACYLATING AGENTS AND DISPERSANTS FOR LUBRICATING OIL AND FUELS THE LUBRIZOL CORPORATION (US) 2003-04-23 EP disclosed
WO-2001098439-A2 ACYLATING AGENTS AND DISPERSANTS FOR LUBRICATING OIL AND FUELS THE LUBRIZOL CORPORATION (US) 2001-12-27 WO disclosed