SCHEMBL11210993

SCHEMBL11210993

CCOC(=O)OC[C@H]1O[C@@H](n2cc(C=CBr)c(=O)[nH]c2=O)C[C@@H]1OC(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RNASE1 P07998 1/20 0.47
TK2 O00142 8/20 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
SCHEMBL11210991 1.00 TK1 (0.56) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11208845 0.91 TK1 (0.53) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11208816 0.91 TK1 (0.53) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11208268 0.91 TK2 (0.53) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11208259 0.91 TK2 (0.53) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11205706 0.90 CYP1A2 (0.50) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11205705 0.90 CYP1A2 (0.50) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11210169 0.90 TK1 (0.57) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11202395 0.89 TK1 (0.69) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11202401 0.89 TK1 (0.69) TK1CYP1A2CYP3A4TSHRBLM

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
EP-0095294-A1 Deoxyuridine compounds, methods for preparing them and their use in medicine BEECHAM GROUP PLC (GB) 1983-11-30 EP claimed