SCHEMBL6990163

SCHEMBL6990163

CCOP(=O)(OCC)N(C(C)O)C(C)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARD Q03181 2/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
ACHE P22303 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL5429281 0.74 TSHR (0.37) TSHRTP53TDP1PPARDPOLB
SCHEMBL2471601 0.71 PPARD (0.39) TSHRTP53TDP1PPARDGAA
SCHEMBL35874 0.70 TSHR (0.44) TSHRTP53TDP1PPARDPOLB
SCHEMBL887692 0.70 PPARD (0.38) TSHRTP53TDP1PPARDGAA
SCHEMBL3822346 0.69 POLB (0.48) TSHRTP53TDP1PPARDPOLB
SCHEMBL4584399 0.68 TSHR (0.52) TSHRTP53TDP1PPARDPOLB
Potassium Ion SCHEMBL887698 0.68 GAA (0.37) TSHRTP53TDP1PPARDPOLB
SCHEMBL1477184 0.68 PPARD (0.45) TSHRTP53TDP1PPARDPOLB
SCHEMBL9791411 0.67 TSHR (0.50) TSHRTP53TDP1PPARDPOLB
SCHEMBL1107289 0.67

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
EP-0739345-B1 CYCLIC POLYAMINES ANORMED INC (CA) 2003-04-09 EP disclosed
US-5698546-A Cyclic polyamines JOHNSON MATTHEY PUBLIC LIMTED COMPANY (GB) 1997-12-16 US disclosed
EP-0739345-A1 CYCLIC POLYAMINES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1996-10-30 EP disclosed
WO-1995018808-A1 CYCLIC POLYAMINES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1995-07-13 WO disclosed