SCHEMBL9675540

SCHEMBL9675540

CCOP(=O)(CSC(CO)CO)OCC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.47
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.30
MAPK1 P28482 1/20 0.30
POLB P06746 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
SCHEMBL9675367 0.84 PPARD (0.37) PPARDTSHRTDP1MAPTMAPK1
SCHEMBL10448349 0.81 TSHR (0.56) PPARDTSHRTP53TDP1
SCHEMBL31682539 0.73 PPARD (0.44) PPARDTSHRTP53TDP1
SCHEMBL9674749 0.69 PPARD (0.54) PPARDTSHRTP53TDP1
SCHEMBL161140 0.69 TSHR (0.55) PPARDTSHRTP53TDP1
SCHEMBL31682591 0.68 PPARD (0.39) PPARDTSHR
SCHEMBL15011848 0.68 PPARD (0.52) PPARDTSHRTP53TDP1MAPT
SCHEMBL18979175 0.68 PPARD (0.52) PPARDTSHRTP53TDP1MAPT
SCHEMBL246097 0.68 PPARD (0.64) PPARDTSHRTP53TDP1
SCHEMBL3889468 0.67 TSHR (0.52) PPARDTSHRTP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399743-A1 Phosphonomethylthio-alkoseypureine derivatives, intermediate products for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1990-11-28 EP claimed
US-5108994-A Synergistic with interferon; herpes virus BEECHAM GROUP P.L.C. (GB) 1992-04-28 US disclosed
EP-0399743-A1 Phosphonomethylthio-alkoseypureine derivatives, intermediate products for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1990-11-28 EP disclosed