SCHEMBL4157307

SCHEMBL4157307

NC(=O)c1c(CCC(=O)O)c(C(N)=O)c(CCC(=O)O)c(C(N)=O)c1CCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.39
LMNA P02545 4/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
HSD17B10 Q99714 1/20 0.37
FFAR1 O14842 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
CYP1A2 P05177 2/20 0.35
TSHR P16473 2/20 0.35
GABRR1 P24046 2/20 0.35
GABRR3 A8MPY1 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
HDAC3 O15379 1/20 0.35
GABBR2 O75899 1/20 0.35
THRB P10828 1/20 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
SCHEMBL10495701 0.75 GPR17 (0.39) KEAP1HSD17B10FFAR1NPSR1CA1
SCHEMBL18249526 0.74 TAAR1 (0.36) HSD17B10CYP1A2TSHRKMT2A
SCHEMBL10495782 0.73 GPR17 (0.38) KEAP1LMNAFFAR1NPSR1CYP1A2
SCHEMBL10495743 0.73 GPR17 (0.39) FFAR1NPSR1
SCHEMBL6419512 0.70 SIRT1 (0.39) KEAP1HSD17B10FFAR1NPSR1CA1
SCHEMBL7531615 0.70 POLB (0.32)
SCHEMBL28830916 0.69 NPSR1 (0.50) KEAP1LMNAALKBH5SUCNR1EGLN1
SCHEMBL11407701 0.69 POLB (0.35) CYP1A2
SCHEMBL11386667 0.67 KEAP1 (0.41) KEAP1LMNAALKBH5SUCNR1EGLN1
SCHEMBL2345633 0.67 FFAR1 (0.43) KEAP1LMNAALKBH5SUCNR1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027695-A1 AQUEOUS CLEANING COMPOSITIONS INCLUDING AN ALKYL 3-HYDROXYBUTYRATE Eastman Chemical Company (US) 2016-06-08 EP disclosed
WO-2015017176-A1 AQUEOUS CLEANING COMPOSITIONS HAVING ENHANCED PROPERTIES EASTMAN CHEMICAL COMPANY (US) 2015-02-05 WO disclosed
WO-2015017175-A1 AQUEOUS CLEANING COMPOSITIONS INCLUDING AN ALKYL 3-HYDROXYBUTYRATE EASTMAN CHEMICAL COMPANY (US) 2015-02-05 WO disclosed
EP-2664016-A1 MEMBRANES SUITABLE FOR USE AS SEPARATORS AND ELECTROCHEMICAL CELLS INCLUDING SUCH SEPARATORS ETV Energy Ltd. (IL) 2013-11-20 EP disclosed
WO-2012095805-A1 MEMBRANES SUITABLE FOR USE AS SEPARATORS AND ELECTROCHEMICAL CELLS INCLUDING SUCH SEPARATORS ETV ENERGY LTD. (IL) 2012-07-19 WO disclosed
WO-2009085072-A1 COMPOSITION COMPRISING CHELATING AGENTS CONTAINING AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC (US) 2009-07-09 WO disclosed