SCHEMBL5550464

SCHEMBL5550464

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENTPD2 Q9Y5L3 3/20 0.52
SLC28A1 O00337 1/20 0.51
SLC28A2 O43868 1/20 0.51
SLC29A1 Q99808 1/20 0.51
SLC28A3 Q9HAS3 1/20 0.51
P2RY14 Q15391 3/20 0.49
P2RY2 P41231 10/20 0.48
P2RY6 Q15077 6/20 0.48
P2RY4 P51582 4/20 0.48
ENTPD1 P49961 1/20 0.47

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
SCHEMBL5550459 1.00 ENTPD2 (0.52) ENTPD2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL8772850 0.87 SLC28A1 (0.56) ENTPD2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL4961019 0.85 SLC28A1 (0.54) ENTPD2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL4961028 0.85 SLC28A1 (0.54) ENTPD2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL437017 0.83 SLC28A1 (0.63) ENTPD2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL525149 0.83 SLC28A1 (0.63) ENTPD2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL783429 0.83 SLC28A1 (0.54) ENTPD2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL783430 0.83 SLC28A1 (0.54) ENTPD2SLC28A1SLC28A2SLC29A1SLC28A3
Phosphoric Acid SCHEMBL27939255 0.79 P2RY14 (0.61) ENTPD2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL30477069 0.78 SLC28A1 (0.54) ENTPD2SLC28A1SLC28A2SLC29A1SLC28A3

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-1788875-A2 NOVEL POLYNUCLEOTIDE SYNTHESIS LABELING CHEMISTRY Dharmacon, Inc. (US) 2007-05-30 EP disclosed
WO-2006033730-A2 NOVEL POLYNUCLEOTIDE SYNTHESIS LABELING CHEMISTRY DHARMACON, INC. (US) 2006-03-30 WO disclosed