SCHEMBL8654348

SCHEMBL8654348

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 0.38
TYMP P19971 2/20 0.37
TK2 O00142 1/20 0.37
TK1 P04183 1/20 0.37
RNASE1 P07998 1/20 0.34

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
SCHEMBL8657464 0.96 TYMS (0.35) TYMSTYMPTK2TK1RNASE1
SCHEMBL8654350 0.88 TYMS (0.42) TYMSTYMPTK2TK1
SCHEMBL8654520 0.86 TYMS (0.37) TYMSTYMPRNASE1
SCHEMBL8657468 0.84 TYMS (0.39) TYMSTYMPTK2TK1
SCHEMBL8650972 0.84 TK2 (0.52) TYMSTYMPTK2TK1
SCHEMBL8510099 0.84 TK2 (0.52) TYMSTYMPTK2TK1
SCHEMBL8654230 0.83 TK1 (0.40) TYMSTYMPTK2TK1RNASE1
SCHEMBL8654233 0.83 TK1 (0.40) TYMSTYMPTK2TK1RNASE1
SCHEMBL8655343 0.82 TK2 (0.46) TYMSTYMPTK2TK1
SCHEMBL8655346 0.82 TK2 (0.46) TYMSTYMPTK2TK1

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
US-5763208-A Oligonucleotides and their analogs capable of passive cell membrane permeation GILEAD SCIENCES, INC. (US) 1998-06-09 US disclosed
US-5633360-A CONTAINS AT LEAST TWO NUCLEOSIDE RESIDUES AND INTERNUCLEOTIDE LINKAGES GILEAD SCIENCES, INC. (US) 1997-05-27 US disclosed