Sugi Predict

Sugi Predict / Compounds / SCHEMBL952342

SCHEMBL952342

SCHEMBL952342

COc1ccc(C(OC(OP(O)(O)=S)[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 5/20 0.46
▸ TYMS P04818 1/20 0.43

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
SCHEMBL23039215 0.86 TK1 (0.51) TK1TYMS
SCHEMBL9755146 0.85 TK1 (0.55) TK1
SCHEMBL9614224 0.84 TK1 (0.49) TK1
SCHEMBL6923517 0.84 TK1 (0.51) TK1TYMS
SCHEMBL21577237 0.84 TK1 (0.48) TK1TYMS
SCHEMBL6831310 0.82 TK1 (0.47) TK1TYMS
SCHEMBL6832147 0.82 TK1 (0.47) TK1TYMS
SCHEMBL6832207 0.82 TK1 (0.47) TK1TYMS
SCHEMBL9564565 0.81 TK1 (0.52) TK1TYMS
SCHEMBL7535867 0.81 TK1 (0.52) TK1TYMS

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
WO-2011005761-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS USE THEREOF ONTORII, INC (US) 2011-01-13 — — WO disclosed