SCHEMBL8997936

SCHEMBL8997936

CS(=O)(=O)O[C@@H](COCc1ccccc1)[C@H](CC=O)OCc1ccccc1.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 5/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CYP24A1 Q07973 1/20 0.36
HTT P42858 1/20 0.35
TACR1 P25103 2/20 0.33
TSHR P16473 1/20 0.33
HSP90AA1 P07900 1/20 0.32
MAPT P10636 2/20 0.32
AR P10275 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA4 P22748 1/20 0.32
SLC1A1 P43005 1/20 0.32

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
SCHEMBL10689073 0.83 TSHR (0.47) TDP1CA1CA2CA7CA9
SCHEMBL6654165 0.83 TSHR (0.47) TDP1CA1CA2CA7CA9
SCHEMBL8997866 0.79 CA1 (0.43) TDP1CA1CA2CA7CA9
SCHEMBL8997763 0.79 CA1 (0.43) TDP1CA1CA2CA7CA9
SCHEMBL8997848 0.78 KMT2A (0.40) TDP1CA1CA2CA7CA9
SCHEMBL17040051 0.77 CA1 (0.34) TDP1CA1CA2CA7CA9
SCHEMBL16756850 0.77 CA1 (0.34) TDP1CA1CA2CA7CA9
SCHEMBL16756852 0.77 CA1 (0.34) TDP1CA1CA2CA7CA9
SCHEMBL16756851 0.77 CA1 (0.34) TDP1CA1CA2CA7CA9
SCHEMBL22810376 0.76 KMT2A (0.39) TDP1CA1CA2CA7CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521163-A TREATMENT OF HERPES VIRUS WITH 1'-DEOXY-5-ETHYL-4'-THIO-BETA URIDINE UNIVERSITY OF BIRMINGHAM (GB) 1996-05-28 US disclosed
US-5356882-A Treating herpes virus UNIVERSITY OF BIRMINGHAM (GB) 1994-10-18 US disclosed
WO-1991001326-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES UNIVERSITY OF BIRMINGHAM (GB) 1991-02-07 WO disclosed
EP-0409575-A1 Antiviral pyrimidine nucleosides THE UNIVERSITY OF BIRMINGHAM (GB) 1991-01-23 EP disclosed