SCHEMBL7057072

SCHEMBL7057072

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.42
THRB P10828 1/20 0.42
HSD17B10 Q99714 1/20 0.42
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
CA2 P00918 6/20 0.36
CA12 O43570 5/20 0.35
CA1 P00915 5/20 0.35
CA4 P22748 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
TSHR P16473 1/20 0.34
CA9 Q16790 3/20 0.34
MAPT P10636 2/20 0.34

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 0.93 CYP2D6 (0.41) CYP2D6THRBHSD17B10NR3C1FYN
SCHEMBL7192038 0.89 CYP2D6 (0.35) CYP2D6THRBHSD17B10NR3C1FYN
SCHEMBL597451 0.87 TLR4 (0.42) CA2CA12CA1CA9MAPT
SCHEMBL30277900 0.87 TLR4 (0.42) CA2CA12CA1CA9MAPT
SCHEMBL21531505 0.87 TLR4 (0.42) CA2CA12CA1CA9MAPT
SCHEMBL25053622 0.87 TLR4 (0.42) CA2CA12CA1CA9MAPT
SCHEMBL30277904 0.87 TLR4 (0.42) CA2CA12CA1CA9MAPT
SCHEMBL15135027 0.87 TLR4 (0.36)
SCHEMBL15135028 0.84 LGALS8 (0.36) MAPT
SCHEMBL270038 0.84 CYP2D6 (0.36) 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 6 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