SCHEMBL13340947

SCHEMBL13340947

CC(C)(C)[Si](C)(C)OCC1C[C@@H](O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
AGTR2 P50052 1/20 0.40
HTR2C P28335 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RIPK1 Q13546 1/20 0.38
PREP P48147 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL8699830 1.00 POLB (0.49) POLBPDK1PDK2PDK3PDK4
SCHEMBL1058641 1.00 POLB (0.49) POLBPDK1PDK2PDK3PDK4
SCHEMBL1058639 1.00 POLB (0.49) POLBPDK1PDK2PDK3PDK4
SCHEMBL30781570 0.91 POLB (0.44) POLBPDK1PDK2PDK3PDK4
SCHEMBL15341340 0.89 PDK1 (0.45) POLBPDK1PDK2PDK3PDK4
SCHEMBL5765411 0.87 PDK1 (0.41) POLBPDK1PDK2PDK3PDK4
SCHEMBL9384838 0.86 ABCB1 (0.40) POLBPDK1PDK2PDK3PDK4
SCHEMBL13297956 0.86 ABCB1 (0.41) POLBPDK1PDK2PDK3PDK4
SCHEMBL9386719 0.86 PDK1 (0.40) POLBPDK1PDK2PDK3PDK4
SCHEMBL5763557 0.85 ECE1 (0.41) POLBPDK1PDK2PDK3PDK4

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-7723509-B2 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to target tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; biodrugs ALNYLAM PHARMACEUTICALS (US) 2010-05-25 US disclosed