SCHEMBL11800596

SCHEMBL11800596

O=C[C@@H](O)[C@H](O)[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.44
KIF11 P52732 1/20 0.39
DUT P33316 3/20 0.36
CTSK P43235 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.33
MPI P34949 1/20 0.31
SLC6A1 P30531 1/20 0.31
LMNA P02545 1/20 0.30
TK2 O00142 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL27863708 1.00 TK1 (0.44) TK1KIF11DUTCTSKCYP2C9
SCHEMBL8588054 1.00 TK1 (0.44) TK1KIF11DUTCTSKCYP2C9
SCHEMBL6667600 0.95 TK1 (0.43) TK1KIF11DUTCTSKCYP2C9
SCHEMBL24587233 0.85 TK1 (0.48) TK1KIF11DUTCTSKCYP2C9
SCHEMBL6516985 0.85 TK1 (0.48) TK1KIF11DUTCTSKCYP2C9
SCHEMBL2485765 0.82 TK1 (0.37) TK1KIF11DUTCTSKCYP2C9
SCHEMBL10772460 0.81 TK1 (0.54) TK1KIF11DUTCTSKCYP2C9
SCHEMBL29150776 0.79 TK1 (0.48) TK1KIF11DUTCTSKCYP2C9
SCHEMBL10438660 0.79 TK1 (0.44) TK1KIF11DUTCTSKCYP2C9
SCHEMBL8587208 0.79 TK1 (0.44) TK1KIF11DUTCTSKCYP2C9

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
US-3948883-A Synthesis of purine nucleosides THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1976-04-06 US disclosed