SCHEMBL21553532

SCHEMBL21553532

COCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1OP(C)(O)=S

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 8/20 0.55
P2RY2 P41231 11/20 0.55
P2RY4 P51582 5/20 0.55
P2RY14 Q15391 5/20 0.55
ENPP1 P22413 1/20 0.54
SLC28A1 O00337 1/20 0.53
SLC28A2 O43868 1/20 0.53
SLC29A1 Q99808 1/20 0.53
SLC28A3 Q9HAS3 1/20 0.53

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
SCHEMBL19244554 0.93 P2RY6 (0.56) P2RY6P2RY2P2RY4P2RY14ENPP1
SCHEMBL22959404 0.91 P2RY2 (0.61) P2RY6P2RY2P2RY4P2RY14
SCHEMBL8630939 0.91 P2RY2 (0.61) P2RY6P2RY2P2RY4P2RY14
SCHEMBL17670528 0.90 P2RY2 (0.60) P2RY6P2RY2P2RY4P2RY14
SCHEMBL18486640 0.86 P2RY14 (0.65) P2RY6P2RY2P2RY4P2RY14
SCHEMBL12701345 0.86 SLC28A1 (0.60) P2RY6P2RY2P2RY4P2RY14SLC28A1
SCHEMBL17236074 0.86 SLC28A1 (0.60) P2RY6P2RY2P2RY4P2RY14SLC28A1
SCHEMBL18486665 0.84 P2RY14 (0.65) P2RY6P2RY2P2RY4P2RY14
SCHEMBL22758348 0.84 SLC28A1 (0.58) P2RY6P2RY2P2RY4P2RY14SLC28A1
SCHEMBL566229 0.82 SLC28A1 (0.72) P2RY6P2RY2P2RY4P2RY14SLC28A1

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
EP-2895200-B1 MULTIMERIC OLIGONUCLEOTIDE COMPOUNDS TRANSLATE BIO MA INC (US) 2019-11-06 EP disclosed