SCHEMBL3868098

SCHEMBL3868098

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 1/20 0.40
SLC28A2 O43868 1/20 0.40
SLC29A1 Q99808 1/20 0.40
SLC28A3 Q9HAS3 1/20 0.40
P2RY14 Q15391 1/20 0.37
P2RY2 P41231 1/20 0.35
P2RY12 Q9H244 1/20 0.35
P2RY6 Q15077 3/20 0.35

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
SCHEMBL2732699 0.95 SLC28A1 (0.37) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL861369 0.92 SLC28A1 (0.36) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL18171337 0.92 SLC28A1 (0.36) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL9748569 0.92 SLC28A1 (0.36) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL23673342 0.92 SLC28A1 (0.43) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL6919227 0.90 SLC28A1 (0.40) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL3885391 0.90 SLC28A1 (0.40) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL4326832 0.90 SLC28A1 (0.40) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL1079788 0.90 SLC28A1 (0.40) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL17745010 0.87 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14

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-1450820-A4 METHOD FOR TREATING OR PREVENTING INFLAMMATORY DISEASES INSPIRE PHARMACEUTICALS INC (US) 2009-02-18 EP disclosed
EP-1450820-A2 METHOD FOR TREATING OR PREVENTING INFLAMMATORY DISEASES Inspire Pharmaceuticals, Inc. (US) 2004-09-01 EP disclosed
WO-2003039473-A2 METHOD FOR TREATING OR PREVENTING INFLAMMATORY DISEASES INSPIRE PHARMACEUTICALS, INC. (US) 2003-05-15 WO disclosed