SCHEMBL17048504

SCHEMBL17048504

CCOC(=O)/C(C)=C/C(=O)OC(=O)N(CCOC)CCOC

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
GLO1 Q04760 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 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
SCHEMBL17048506 0.89 NPSR1 (0.40) NPSR1GAAALOX12GLO1
SCHEMBL17048505 0.89 NPSR1 (0.40) NPSR1GAAALOX12GLO1
SCHEMBL17241042 0.80 THRB (0.32)
SCHEMBL1964223 0.77 POLB (0.32) NPSR1
SCHEMBL17241043 0.74 THRB (0.32)
SCHEMBL17241045 0.74 THRB (0.32)
SCHEMBL11146174 0.72 NPSR1 (0.50) NPSR1GAAGLO1CYP2D6CYP2C19
SCHEMBL10430506 0.72 NPSR1 (0.50) NPSR1GAAGLO1CYP2D6CYP2C19
SCHEMBL11146148 0.72 NPSR1 (0.50) NPSR1GAAGLO1CYP2D6CYP2C19
SCHEMBL1321694 0.72 NPSR1 (0.65) NPSR1GAAGLO1CYP2D6CYP2C19

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
WO-2015128492-A1 MONOMETHYL- AND DIMETHYLFUMARATE FOR NK CELL ACTIVATION MAGHAZACHI AZZAM A (NO) 2015-09-03 WO disclosed