SCHEMBL9110792

SCHEMBL9110792

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 1/20 0.41
SLC28A2 O43868 1/20 0.41
SLC29A1 Q99808 1/20 0.41
SLC28A3 Q9HAS3 1/20 0.41
P2RY2 P41231 5/20 0.37
P2RY4 P51582 3/20 0.37
DUT P33316 4/20 0.36
P2RY14 Q15391 3/20 0.34
NT5E P21589 1/20 0.34
P2RY6 Q15077 4/20 0.34

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
SCHEMBL10861448 0.86 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL18670763 0.85 SLC28A1 (0.41) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL14140653 0.81 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL14664290 0.81 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL13389961 0.81 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL13389805 0.81 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL14665202 0.80 SLC28A1 (0.43) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL14664270 0.80 SLC28A1 (0.49) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL9109482 0.79 NT5E (0.39) DUTP2RY14NT5E
SCHEMBL13389799 0.78 SLC28A1 (0.47) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995015332-A1 TRANSMEMBRANOUS ACTIVE AGENT USED TO DISRUPT DNA BIOSYNTHESIS ZEPPEZAUER MICHAEL (DE) 1995-06-08 WO disclosed