Sugi Predict

Sugi Predict / Compounds / SCHEMBL8654233

SCHEMBL8654233

SCHEMBL8654233

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 2/20 0.40
▸ TK2 O00142 1/20 0.40
▸ TYMS P04818 2/20 0.38
▸ TYMP P19971 2/20 0.38
▸ RNASE1 P07998 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35

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
SCHEMBL8654230 1.00 TK1 (0.40) TK1TK2TYMSTYMPRNASE1
SCHEMBL8510099 0.88 TK2 (0.52) TK1TK2TYMSTYMP
SCHEMBL8650972 0.88 TK2 (0.52) TK1TK2TYMSTYMP
SCHEMBL8655346 0.87 TK2 (0.46) TK1TK2TYMSTYMP
SCHEMBL8655343 0.87 TK2 (0.46) TK1TK2TYMSTYMP
SCHEMBL8654350 0.86 TYMS (0.42) TK1TK2TYMSTYMP
SCHEMBL8654348 0.83 TYMS (0.38) TK1TK2TYMSTYMPRNASE1
SCHEMBL8657468 0.83 TYMS (0.39) TK1TK2TYMSTYMP
SCHEMBL3655055 0.82 RNASE1 (0.46) TK1TK2TYMPRNASE1
SCHEMBL6409396 0.82 RNASE1 (0.46) TK1TK2TYMPRNASE1

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