SCHEMBL825213

SCHEMBL825213

CC(C)(C#N)/N=N/C(C)(C)C#N.CCCCCCCCCCCCOOCCCCCCCCCCCC

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.32
THRB P10828 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
LPAR3 Q9UBY5 5/20 0.31
CA1 P00915 5/20 0.31
CA2 P00918 5/20 0.31
CA9 Q16790 5/20 0.31
LPAR2 Q9HBW0 4/20 0.31
LPAR1 Q92633 2/20 0.31
NAAA Q02083 1/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 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
SCHEMBL825215 1.00 TSHR (0.32) TSHRTHRBMEN1HTTKMT2A
SCHEMBL5283760 0.92 TSHR (0.31) TSHR
SCHEMBL13324425 0.76 EBP (0.31)
SCHEMBL25206613 0.74 TSHR (0.61) TSHR
SCHEMBL3826183 0.73 THRB (0.57) TSHRTHRBMEN1HTTKMT2A
SCHEMBL2119344 0.73 THRB (0.57) TSHRTHRBMEN1HTTKMT2A
SCHEMBL10581038 0.73 THRB (0.57) TSHRTHRBMEN1HTTKMT2A
SCHEMBL21218973 0.73 THRB (0.57) TSHRTHRBMEN1HTTKMT2A
SCHEMBL4162714 0.73 THRB (0.57) TSHRTHRBMEN1HTTKMT2A
SCHEMBL6827456 0.73 THRB (0.57) TSHRTHRBMEN1HTTKMT2A

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
WO-2011129767-A1 ROOM TEMPERATURE CURABLE RESIN COMPOSITION FOR PIPE RENEWAL SHOWA HIGHPOLYMER SINGAPORE PTE. LTD. (SG) 2011-10-20 WO disclosed