SCHEMBL5531485

SCHEMBL5531485

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

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
P2RY12 Q9H244 2/20 0.38
P2RY2 P41231 2/20 0.36
P2RY4 P51582 1/20 0.36
TK2 O00142 3/20 0.36

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
SCHEMBL4083526 1.00 SLC28A1 (0.40) SLC28A1SLC28A2SLC29A1SLC28A3P2RY12
SCHEMBL4083099 1.00 SLC28A1 (0.40) SLC28A1SLC28A2SLC29A1SLC28A3P2RY12
SCHEMBL4081760 0.79 NT5E (0.39) P2RY12P2RY2P2RY4
SCHEMBL9069521 0.78 P2RY2 (0.35) SLC28A1SLC28A2SLC29A1SLC28A3P2RY12
SCHEMBL23522590 0.78 P2RY2 (0.38) SLC28A1SLC28A2SLC29A1SLC28A3P2RY12
SCHEMBL9556690 0.78 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL3760060 0.77 SLC28A1 (0.41) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL564852 0.75 P2RY12 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY12
SCHEMBL6224763 0.75 P2RY2 (0.41) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL5547202 0.74 SLC28A1 (0.43) SLC28A1SLC28A2SLC29A1SLC28A3P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745061-A1 NOVEL AMPHIPHILIC COMPOUNDS, PREPARATION METHOD THEREOF AND APPLICATIONS OF SAME Universite D'Avignon et Des Pays Du Vaucluse (FR) 2007-01-24 EP disclosed
WO-2005116043-A1 NOVEL AMPHIPHILIC COMPOUNDS, PREPARATION METHOD THEREOF AND APPLICATIONS OF SAME UNIVERSITE D'AVIGNON ET DES PAYS DE VAUCLUSE (FR) 2005-12-08 WO disclosed