SCHEMBL11208264

SCHEMBL11208264

CCCCCOC1C[C@@H](n2cc(C=CBr)c(=O)[nH]c2=O)O[C@H]1COC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
TK1 P04183 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TK2 O00142 7/20 0.46
TYMS P04818 1/20 0.41
RNASE1 P07998 1/20 0.40
ABCG2 Q9UNQ0 3/20 0.39
ABCB1 P08183 1/20 0.39

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 0.89 TK1 (0.56) CYP1A2CYP3A4TSHRTK1BLM
SCHEMBL11210993 0.89 TK1 (0.56) CYP1A2CYP3A4TSHRTK1BLM
SCHEMBL11208259 0.89 TK2 (0.53) CYP1A2CYP3A4TSHRTK1BLM
SCHEMBL11208268 0.89 TK2 (0.53) CYP1A2CYP3A4TSHRTK1BLM
SCHEMBL11208816 0.88 TK1 (0.53) CYP1A2CYP3A4TSHRTK1BLM
SCHEMBL11208845 0.88 TK1 (0.53) CYP1A2CYP3A4TSHRTK1BLM
SCHEMBL11288617 0.87 TK1 (0.66) CYP1A2CYP3A4TSHRTK1BLM
SCHEMBL11202401 0.85 TK1 (0.69) CYP1A2CYP3A4TSHRTK1BLM
SCHEMBL11202395 0.85 TK1 (0.69) CYP1A2CYP3A4TSHRTK1BLM
SCHEMBL11202393 0.85 TK1 (0.69) CYP1A2CYP3A4TSHRTK1BLM

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