SCHEMBL4097984

SCHEMBL4097984

Cc1cc(Nc2c(S(C)(=O)=O)cccc2S(C)(=O)=O)c(Nc2c(S(C)(=O)=O)cccc2S(C)(=O)=O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HSD17B2 P37059 1/20 0.37
ALDH1A1 P00352 3/20 0.37
RAPGEF4 Q8WZA2 2/20 0.37
CCR2 P41597 1/20 0.35
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33

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
SCHEMBL2202005 0.73 RAPGEF4 (0.55) ALDH1A1RAPGEF4
SCHEMBL11662838 0.73 TSHR (0.41) L3MBTL1KEAP1NFE2L2ALDH1A1
SCHEMBL25598687 0.69 TSHR (0.38) L3MBTL1KEAP1NFE2L2ALDH1A1
SCHEMBL15478488 0.68 RAPGEF4 (0.52) L3MBTL1HSD17B2ALDH1A1RAPGEF4
SCHEMBL30908390 0.68 ALDH1A1 (0.53) L3MBTL1ALDH1A1
SCHEMBL3796970 0.67 KEAP1 (0.50) L3MBTL1KEAP1NFE2L2ALDH1A1
SCHEMBL29604136 0.67 KEAP1 (0.50) L3MBTL1KEAP1NFE2L2ALDH1A1
SCHEMBL12307 0.66 L3MBTL1 (0.50) L3MBTL1ALDH1A1RAPGEF4
SCHEMBL28278788 0.66 L3MBTL1 (0.50) L3MBTL1ALDH1A1RAPGEF4
SCHEMBL12152328 0.65 LMNA (0.40) L3MBTL1ALDH1A1RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029706-A2 LUBRICATING COMPOSITIONS CONTAINING ASHLESS CATALYTIC ANTIOXIDANT ADDITIVES ExxonMobil Research and Engineering Company (US) 2009-03-04 EP disclosed
WO-2007133462-A2 LUBRICATING COMPOSITIONS CONTAINING ASHLESS CATALYTIC ANTIOXIDANT ADDITIVES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2007-11-22 WO disclosed