SCHEMBL7057077

SCHEMBL7057077

CCCC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(=O)CCC)[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 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
THRB P10828 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR3C1 P04150 1/20 0.36
FYN P06241 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADRA2B P18089 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MAPT P10636 2/20 0.35
CA2 P00918 7/20 0.35
CA12 O43570 6/20 0.34
CA1 P00915 6/20 0.34
CA9 Q16790 6/20 0.34
CA14 Q9ULX7 3/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.33
PKM P14618 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
SCHEMBL7057072 0.93 CYP2D6 (0.42) CYP2D6THRBHSD17B10NR3C1FYN
SCHEMBL7192038 0.92 CYP2D6 (0.35) CYP2D6THRBHSD17B10NR3C1FYN
Sucrose Octaacetate SCHEMBL14763740 0.88 CYP2D6 (0.53) CYP2D6THRBHSD17B10NR3C1FYN
Sucrose Octaacetate SCHEMBL16710285 0.88 CYP2D6 (0.53) CYP2D6THRBHSD17B10NR3C1FYN
Sucrose Octaacetate SCHEMBL16805211 0.88 CYP2D6 (0.53) CYP2D6THRBHSD17B10NR3C1FYN
Sucrose Octaacetate SCHEMBL23549923 0.88 CYP2D6 (0.53) CYP2D6THRBHSD17B10NR3C1FYN
Sucrose Octaacetate SCHEMBL48906 0.88 CYP2D6 (0.53) CYP2D6THRBHSD17B10NR3C1FYN
Sucrose Octaacetate SCHEMBL16330227 0.88 CYP2D6 (0.53) CYP2D6THRBHSD17B10NR3C1FYN
Sucrose Octaacetate SCHEMBL23549924 0.88 CYP2D6 (0.53) CYP2D6THRBHSD17B10NR3C1FYN
Sucrose Octaacetate SCHEMBL19841740 0.88 CYP2D6 (0.53) CYP2D6THRBHSD17B10NR3C1FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670111-B2 Containing sucose compound FERRANIA, S.P.A. (IT) 2003-12-30 US claimed
US-20030118957-A1 Photographic dispersions for yellow filter dyes FERRANIA, S.P.A. 2003-06-26 US claimed
EP-1308775-A1 Photographic dispersions for yellow filter dyes FERRANIA S.p.A. (IT) 2003-05-07 EP claimed
US-6670111-B2 Containing sucose compound FERRANIA, S.P.A. (IT) 2003-12-30 US disclosed
US-20030118957-A1 Photographic dispersions for yellow filter dyes FERRANIA, S.P.A. 2003-06-26 US disclosed
EP-1308775-A1 Photographic dispersions for yellow filter dyes FERRANIA S.p.A. (IT) 2003-05-07 EP disclosed
EP-0428157-B1 An emulsified composition LION CORP (JP) 1995-02-08 EP disclosed
US-5154855-A Oily substance emulsified in water with fatty acid monoester of glucose or alkyl glucoside LION CORPORATION (JP) 1992-10-13 US disclosed
EP-0428157-A2 An emulsified composition LION CORPORATION (JP) 1991-05-22 EP disclosed