SCHEMBL9017499

SCHEMBL9017499

COc1cccc(CC(=O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C[C@@H]2O)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
P2RY2 P41231 1/20 0.51
P2RY4 P51582 1/20 0.51
P2RY6 Q15077 1/20 0.51
XDH P47989 1/20 0.49
HINT1 P49773 3/20 0.48
GSK3A P49840 2/20 0.46
RPS6KA3 P51812 2/20 0.46
MAPK14 Q16539 2/20 0.46
HPGD P15428 1/20 0.45
TYMP P19971 1/20 0.45
PNP P00491 2/20 0.43
F2 P00734 2/20 0.43
POLA1 P09884 1/20 0.43
KRAS P01116 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42

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
SCHEMBL8506523 0.89 POLB (0.61) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL9017509 0.85 POLB (0.59) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL5075569 0.84 POLB (0.60) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL5347882 0.82 POLB (0.63) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL8622463 0.82 POLB (0.67) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL8622459 0.82 POLB (0.67) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL3425765 0.81 POLB (0.66) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL338650 0.81 POLB (0.70) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL16359949 0.81 POLB (0.70) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL367384 0.80 POLB (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749436-A1 COMPOSITIONS AND METHODS FOR USE IN THE SYNTHESIS OF OLIGONUCLEOTIDES BECKMAN INSTRUMENTS, INC. (US) 1996-12-27 EP disclosed
WO-1995024413-A1 COMPOSITIONS AND METHODS FOR USE IN THE SYNTHESIS OF OLIGONUCLEOTIDES BECKMAN INSTRUMENTS, INC. (US) 1995-09-14 WO disclosed