SCHEMBL3375681

SCHEMBL3375681

NC(=O)c1ccc2c(C(N)=O)c1CCCCCC2.NC(=O)c1cccc(-c2ccc(C(N)=O)c(C(N)=O)c2-c2cccc(C(N)=O)c2C(N)=O)c1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
PARP1 P09874 3/20 0.33
NPC1 O15118 2/20 0.33
FABP4 P15090 1/20 0.33
BTK Q06187 3/20 0.32
FLT3 P36888 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
ESR2 Q92731 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL10942539 0.83 HSD17B10 (0.41) ALOX15MAPK1CASP1CASP7HSD17B10
SCHEMBL18489764 0.83 HSD17B10 (0.41) ALOX15MAPK1CASP1CASP7HSD17B10
SCHEMBL36051 0.83 HSD17B10 (0.41) ALOX15MAPK1CASP1CASP7HSD17B10
SCHEMBL918600 0.83 HSD17B10 (0.41) ALOX15MAPK1CASP1CASP7HSD17B10
SCHEMBL8864195 0.83 HSD17B10 (0.41) ALOX15MAPK1CASP1CASP7HSD17B10
SCHEMBL6052857 0.81 HSD17B10 (0.40) ALOX15MAPK1CASP1CASP7HSD17B10
SCHEMBL472840 0.81 MAPT (0.40) ALOX15MAPK1CASP1CASP7HSD17B10
SCHEMBL6436615 0.74 HSD17B10 (0.41) ALOX15MAPK1CASP1CASP7HSD17B10
SCHEMBL4566904 0.74 HSD17B10 (0.41) ALOX15MAPK1CASP1CASP7HSD17B10
SCHEMBL6466252 0.72 PARP1 (0.37) ALOX15MAPK1CASP1CASP7HSD17B10

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
EP-1176002-B1 PACKAGING LAMINATE KUREHA CORP (JP) 2010-11-03 EP disclosed