SCHEMBL9780593

SCHEMBL9780593

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

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.62
TK2 O00142 1/20 0.62
RNASE1 P07998 1/20 0.54
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALOX12 P18054 1/20 0.49
ADRA1A P35348 1/20 0.49
ALB P02768 1/20 0.48
PKM P14618 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
SCHEMBL9780588 1.00 TK1 (0.62) TK1TK2RNASE1LMNASMN1; SMN2
SCHEMBL3388279 0.91 TK1 (0.62) TK1TK2RNASE1LMNASMN1; SMN2
SCHEMBL3388282 0.91 TK1 (0.62) TK1TK2RNASE1LMNASMN1; SMN2
SCHEMBL3388209 0.91 TK1 (0.62) TK1TK2RNASE1LMNASMN1; SMN2
SCHEMBL16360133 0.88 RNASE1 (0.68) TK1RNASE1LMNAALBPKM
SCHEMBL6248265 0.88 RNASE1 (0.68) TK1RNASE1LMNAALBPKM
SCHEMBL26571124 0.88 RNASE1 (0.68) TK1RNASE1LMNAALBPKM
SCHEMBL9780793 0.88 TK1 (0.51) TK1TK2
SCHEMBL9780787 0.88 TK1 (0.51) TK1TK2
SCHEMBL10594576 0.88 RNASE1 (0.59) TK1TK2RNASE1LMNASMN1; SMN2

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-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