SCHEMBL7192038

SCHEMBL7192038

CCCC(=O)OC[C@H]1O[C@@](COC(=O)CCC)(O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]2OC(=O)CCC)[C@@H](OC(C)=O)[C@@H]1OC(=O)CCC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
THRB P10828 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TLR4 O00206 7/20 0.33
LY96 Q9Y6Y9 3/20 0.33
MAPT P10636 1/20 0.32
CA2 P00918 5/20 0.32
CA12 O43570 4/20 0.32
CA1 P00915 4/20 0.32
CA9 Q16790 4/20 0.32
CA14 Q9ULX7 4/20 0.32
NR3C1 P04150 1/20 0.31
FYN P06241 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADRA2B P18089 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL7057077 0.92 CYP2D6 (0.41) CYP2D6THRBHSD17B10MAPTCA2
SCHEMBL3901023 0.90 TLR4 (0.42) CYP2D6THRBHSD17B10TLR4LY96
SCHEMBL15135027 0.90 TLR4 (0.36) TLR4LY96
SCHEMBL7057072 0.89 CYP2D6 (0.42) CYP2D6THRBHSD17B10MAPTCA2
SCHEMBL358376 0.88 TLR4 (0.44) TLR4LY96
SCHEMBL10447319 0.88 TLR4 (0.44) TLR4LY96
SCHEMBL15135028 0.88 LGALS8 (0.36) TLR4MAPT
SCHEMBL8038328 0.85 CYP2D6 (0.47) CYP2D6THRBHSD17B10MAPTCA2
SCHEMBL19138246 0.83 TLR4 (0.46) TLR4LY96
SCHEMBL25053622 0.83 TLR4 (0.42) TLR4LY96MAPTCA2CA12

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
US-6620433-B2 Dispersible and soluble galenic paracetamol formulation, method for its preparation and its applications LABORATORIOS BELMAC, S.A. (ES) 2003-09-16 US claimed