SCHEMBL9780967

SCHEMBL9780967

CCOC1C[C@@H](n2cc(CC)c(=O)[nH]c2=O)O[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.46
RNASE1 P07998 1/20 0.44
TYMP P19971 1/20 0.44

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
SCHEMBL9780963 1.00 TK1 (0.46) TK1RNASE1TYMP
SCHEMBL9780832 0.92 TK1 (0.44) TK1RNASE1TYMP
SCHEMBL9780827 0.92 TK1 (0.44) TK1RNASE1TYMP
SCHEMBL10483796 0.90 TK1 (0.48) TK1RNASE1TYMP
SCHEMBL10483794 0.90 TK1 (0.48) TK1RNASE1TYMP
SCHEMBL9810774 0.89 TK1 (0.43) TK1RNASE1TYMP
SCHEMBL9810769 0.89 TK1 (0.43) TK1RNASE1TYMP
SCHEMBL10613408 0.88 LMNA (0.51) TK1RNASE1TYMP
SCHEMBL10613405 0.88 LMNA (0.51) TK1RNASE1TYMP
SCHEMBL9780568 0.88 TK1 (0.47) TK1TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257378-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-07-03 EP disclosed
US-5010060-A Method of treating herpes simplex viral infection employing pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1991-04-23 US disclosed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US disclosed