SCHEMBL8003285

SCHEMBL8003285

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
P2RY2 P41231 1/20 0.47
P2RY4 P51582 1/20 0.47
P2RY6 Q15077 1/20 0.47
HINT1 P49773 3/20 0.46
STING1 Q86WV6 3/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
PNP P00491 1/20 0.44
NT5E P21589 1/20 0.42
GSK3A P49840 2/20 0.41
RPS6KA3 P51812 2/20 0.41
MAPK14 Q16539 2/20 0.41

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
SCHEMBL718291 0.92 POLB (0.48) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL9059968 0.86 TAAR1 (0.49) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL5355319 0.84 POLB (0.47) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL3779342 0.83 POLB (0.55) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL30712246 0.83 POLB (0.58) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL29546691 0.82 POLB (0.57) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL6835146 0.82 TYMP (0.45) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL3503649 0.81 POLB (0.56) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL9294597 0.81 TYMP (0.46) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL7999683 0.81 POLB (0.45) POLBP2RY2P2RY4P2RY6HINT1

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-2000018778-A9 SYNTHESIS OF CODON RANDOMIZED NUCLEIC ACIDS PHYLOS INC (US) 2000-06-08 WO disclosed