SCHEMBL3779342

SCHEMBL3779342

COC(C)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
STING1 Q86WV6 8/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
P2RY2 P41231 1/20 0.46
P2RY4 P51582 1/20 0.46
P2RY6 Q15077 1/20 0.46
PNP P00491 1/20 0.46
HINT1 P49773 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL30712246 0.88 POLB (0.58) POLBSTING1PDE3BPDE3AP2RY2
SCHEMBL29546691 0.87 POLB (0.57) POLBSTING1PDE3BPDE3AP2RY2
SCHEMBL3503649 0.86 POLB (0.56) POLBSTING1PDE3BPDE3AP2RY2
SCHEMBL3148826 0.85 POLB (0.55) POLBSTING1PDE3BPDE3AP2RY2
SCHEMBL3501824 0.85 POLB (0.55) POLBSTING1PDE3BPDE3AP2RY2
SCHEMBL8003285 0.83 POLB (0.51) POLBSTING1PDE3BPDE3AP2RY2
SCHEMBL13252942 0.83 POLB (0.59) POLBSTING1PDE3BPDE3AP2RY2
SCHEMBL10015775 0.83 POLB (0.59) POLBSTING1PDE3BPDE3AP2RY2
SCHEMBL6914307 0.83 POLB (0.59) POLBSTING1PDE3BPDE3AP2RY2
SCHEMBL28094790 0.82 POLB (0.59) POLBSTING1PDE3BPDE3AP2RY2

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-7858588-B2 Immunostimulatory oligodeoxynucleic molecules INTERCELL AG (AT) 2010-12-28 US claimed