SCHEMBL14570495

SCHEMBL14570495

CCCNP(C)(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARD Q03181 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 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
SCHEMBL17550073 0.82 TSHR (0.39) TSHRTP53TDP1CA12CA1
SCHEMBL179681 0.82 TSHR (0.39) TSHRTP53TDP1CA12CA1
SCHEMBL18461807 0.82 MEN1 (0.41) TSHRTP53TDP1CA12CA1
SCHEMBL10308511 0.80
SCHEMBL23969048 0.80 MEN1 (0.50) TSHRTP53TDP1CA12CA1
SCHEMBL12391214 0.78 TSHR (0.43) TSHRTP53TDP1CA12CA1
SCHEMBL21558044 0.77 TSHR (0.34) TSHRTP53TDP1CA12CA1
SCHEMBL11070076 0.76 TSHR (0.42) TSHRTP53TDP1CA12CA1
SCHEMBL14751757 0.76 CA12 (0.42) TSHRCA12CA1CA2CA9
SCHEMBL10902617 0.74 TP53 (0.48) TSHRTP53TDP1CA12CA1

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-7186826-B2 Phosphorus-containing compounds and uses thereof ARIAD GENE THERAPEUTICS, INC. (US) 2007-03-06 US disclosed