SCHEMBL8510099

SCHEMBL8510099

CCCCCc1cn([C@@H]2CC(O)[C@H](COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)O2)c(=O)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK2 O00142 1/20 0.52
TK1 P04183 1/20 0.52
TYMS P04818 4/20 0.51
TYMP P19971 1/20 0.48

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
SCHEMBL8650972 1.00 TK2 (0.52) TK2TK1TYMSTYMP
SCHEMBL6044983 0.94 TK2 (0.59) TK2TK1TYMSTYMP
SCHEMBL8655346 0.93 TK2 (0.46) TK2TK1TYMSTYMP
SCHEMBL8655343 0.93 TK2 (0.46) TK2TK1TYMSTYMP
SCHEMBL8654230 0.88 TK1 (0.40) TK2TK1TYMSTYMP
SCHEMBL8654233 0.88 TK1 (0.40) TK2TK1TYMSTYMP
SCHEMBL8159110 0.87 TYMS (0.46) TK2TK1TYMSTYMP
SCHEMBL8166332 0.87 TYMS (0.47) TK2TK1TYMSTYMP
Hexanoate SCHEMBL6563169 0.87 TYMS (0.49) TK2TK1TYMSTYMP
SCHEMBL22984023 0.86 TYMS (0.56) TK1TYMSTYMP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923596-A2 LIPOPHILIC OLIGONUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1999-06-23 EP disclosed
US-5763208-A Oligonucleotides and their analogs capable of passive cell membrane permeation GILEAD SCIENCES, INC. (US) 1998-06-09 US disclosed
WO-1998004575-A2 LIPOPHILIC OLIGONUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1998-02-05 WO disclosed
US-5633360-A CONTAINS AT LEAST TWO NUCLEOSIDE RESIDUES AND INTERNUCLEOTIDE LINKAGES GILEAD SCIENCES, INC. (US) 1997-05-27 US disclosed