SCHEMBL8588528

SCHEMBL8588528

C=COC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 1/20 0.67
SLC28A2 O43868 1/20 0.67
SLC29A1 Q99808 1/20 0.67
SLC28A3 Q9HAS3 1/20 0.67
P2RY6 Q15077 8/20 0.65
P2RY2 P41231 12/20 0.64
P2RY4 P51582 5/20 0.64
P2RY14 Q15391 6/20 0.63

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
SCHEMBL4543042 1.00 SLC28A1 (0.67) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL15959267 0.89 SLC28A1 (0.69) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL8767325 0.89 SLC28A1 (0.69) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL14178408 0.86 SLC28A1 (0.72) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL42134 0.86 SLC28A1 (0.72) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL14199627 0.86 SLC28A1 (0.72) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL3498224 0.86 SLC28A1 (0.72) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL566229 0.86 SLC28A1 (0.72) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL9312545 0.86 SLC28A1 (0.65) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL4970785 0.86 SLC28A1 (0.65) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831794-A4 ACYCLOVIR DERIVATIVES FOR TOPICAL USE HOSTETLER KARL Y (US) 1998-11-04 EP disclosed
EP-0831794-A1 ACYCLOVIR DERIVATIVES FOR TOPICAL USE HOSTETLER, Karl Y. (US) 1998-04-01 EP disclosed
WO-1996040088-A1 ACYCLOVIR DERIVATIVES FOR TOPICAL USE HOSTETLER KARL Y (US) 1996-12-19 WO disclosed