SCHEMBL5531486

SCHEMBL5531486

CCCCCCCCCCCCCCCCCC(=O)OC1C(OC(=O)CCCCCCCCCCCCCCCCC)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H]1CO

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK2 O00142 4/20 0.61
SLC28A1 O00337 1/20 0.52
SLC28A2 O43868 1/20 0.52
SLC29A1 Q99808 1/20 0.52
SLC28A3 Q9HAS3 1/20 0.52
P2RY12 Q9H244 2/20 0.47
PRKCA P17252 5/20 0.43
P2RY2 P41231 1/20 0.43

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
SCHEMBL5531119 1.00 TK2 (0.61) TK2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL5566008 0.92 TK2 (0.72) TK2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL9069552 0.91 TK2 (0.53) TK2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL13901219 0.87 SLC28A1 (0.58) TK2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL6222233 0.87 SLC28A1 (0.58) TK2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL9069522 0.87 CA12 (0.49) TK2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL25402244 0.86 LMNA (0.50) TK2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL26751632 0.86 LMNA (0.50) TK2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL13901317 0.85 SLC28A1 (0.49) TK2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL13901324 0.85 SLC28A1 (0.48) TK2SLC28A1SLC28A2SLC29A1SLC28A3

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