SCHEMBL4429193

SCHEMBL4429193

CCCCCCCCCCCCO[SiH](OCC)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 8/20 0.37
CA2 P00918 8/20 0.37
CA9 Q16790 7/20 0.37
LPAR3 Q9UBY5 6/20 0.37
LPAR2 Q9HBW0 5/20 0.37
CA12 O43570 3/20 0.37
CA7 P43166 3/20 0.37
CA14 Q9ULX7 3/20 0.37
LPAR1 Q92633 2/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37

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
SCHEMBL17222434 1.00 THRB (0.40) THRBTSHRMEN1HTTKMT2A
SCHEMBL17391451 1.00 THRB (0.40) THRBTSHRMEN1HTTKMT2A
SCHEMBL2691225 1.00 THRB (0.40) THRBTSHRMEN1HTTKMT2A
SCHEMBL17391430 1.00 THRB (0.40) THRBTSHRMEN1HTTKMT2A
SCHEMBL1608608 0.97 THRB (0.35) THRBTSHRMEN1HTTKMT2A
SCHEMBL3321056 0.97 THRB (0.35) THRBTSHRMEN1HTTKMT2A
SCHEMBL5197891 0.92 THRB (0.47) THRBTSHRMEN1HTTKMT2A
SCHEMBL2968016 0.92 THRB (0.47) THRBTSHRMEN1HTTKMT2A
SCHEMBL5746879 0.92 THRB (0.47) THRBTSHRMEN1HTTKMT2A
SCHEMBL2966413 0.92 THRB (0.47) THRBTSHRMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054150-A2 COATED MOLECULAR SIEVE Nanoscape AG (DE) 2009-05-06 EP disclosed
WO-2008000457-A2 COATED MOLECULAR SIEVE NANOSCAPE AG (DE) 2008-01-03 WO disclosed