SCHEMBL7996435

SCHEMBL7996435

CCCCCCCCCCCCOP(=O)(O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 11/20 0.66
P2RY14 Q15391 4/20 0.66
NT5E P21589 1/20 0.66
PLA2G1B P04054 1/20 0.63
ATG4B Q9Y4P1 1/20 0.63
DNPH1 O43598 1/20 0.54
P2RY2 P41231 2/20 0.54
ADK P55263 1/20 0.51
P2RY12 Q9H244 1/20 0.51

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
SCHEMBL7600836 1.00 P2RY6 (0.66) P2RY6P2RY14NT5EPLA2G1BATG4B
SCHEMBL10796298 0.90 P2RY6 (0.56) P2RY6P2RY14NT5EPLA2G1BATG4B
SCHEMBL7715730 0.87 P2RY6 (0.53) P2RY6P2RY14NT5EPLA2G1BATG4B
SCHEMBL11007076 0.87 P2RY6 (0.59) P2RY6P2RY14NT5EPLA2G1BATG4B
SCHEMBL5390461 0.86 P2RY6 (0.53) P2RY6P2RY14NT5EPLA2G1BATG4B
SCHEMBL8630139 0.86 PLA2G1B (0.52) P2RY6P2RY14NT5EPLA2G1BATG4B
SCHEMBL8675898 0.86 P2RY6 (0.60) P2RY6P2RY14NT5EPLA2G1BATG4B
SCHEMBL8675896 0.86 P2RY6 (0.60) P2RY6P2RY14NT5EPLA2G1BATG4B
Fosfluridine Tidoxil SCHEMBL7524603 0.85 P2RY6 (0.53) P2RY6P2RY14NT5EPLA2G1BATG4B
SCHEMBL10795816 0.85 P2RY6 (0.51) P2RY6P2RY14NT5EPLA2G1BATG4B

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
US-6025343-A Lipid esters of nucleoside monophosphates and their use as immunosuppressive drugs ROCHE DIAGNOSTICS GMBH (DE) 2000-02-15 US disclosed