SCHEMBL11208259

SCHEMBL11208259

CCCCC(=O)O[C@H]1C[C@H](n2cc(/C=C/Br)c(=O)[nH]c2=O)O[C@@H]1COC(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK2 O00142 10/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
TK1 P04183 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SLC6A2 P23975 1/20 0.43
ABCG2 Q9UNQ0 3/20 0.43
ABCB1 P08183 1/20 0.43
RNASE1 P07998 1/20 0.42

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
SCHEMBL11208268 1.00 TK2 (0.53) TK2CYP1A2CYP3A4TSHRTK1
SCHEMBL11289214 0.94 TK2 (0.55) TK2CYP1A2CYP3A4TSHRTK1
SCHEMBL11289213 0.94 TK2 (0.55) TK2CYP1A2CYP3A4TSHRTK1
SCHEMBL11205705 0.91 CYP1A2 (0.50) TK2CYP1A2CYP3A4TSHRTK1
SCHEMBL11205706 0.91 CYP1A2 (0.50) TK2CYP1A2CYP3A4TSHRTK1
SCHEMBL11210993 0.91 TK1 (0.56) TK2CYP1A2CYP3A4TSHRTK1
SCHEMBL11210991 0.91 TK1 (0.56) TK2CYP1A2CYP3A4TSHRTK1
SCHEMBL11208264 0.89 CYP1A2 (0.52) TK2CYP1A2CYP3A4TSHRTK1
SCHEMBL11291366 0.88 CYP1A2 (0.55) TK2CYP1A2CYP3A4TSHRTK1
SCHEMBL11286833 0.88 CYP1A2 (0.55) TK2CYP1A2CYP3A4TSHRTK1

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