SCHEMBL11199403

SCHEMBL11199403

CCCCCO[Si](OCCCCl)(OCCCCC)OCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.46
THRB P10828 5/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
THRA P10827 2/20 0.33
NR5A1 Q13285 1/20 0.32
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA9 Q16790 4/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32
LTA4H P09960 1/20 0.31
LPAR3 Q9UBY5 4/20 0.31
LPAR2 Q9HBW0 3/20 0.31
LPAR1 Q92633 2/20 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
SCHEMBL1041306 0.87 THRB (0.41) TSHRTHRBMAPTCA1CA2
SCHEMBL17644810 0.85 ADRB2 (0.41) TSHRTHRBMAPTNR5A1CA1
SCHEMBL11572901 0.85 THRB (0.47) TSHRTHRBMAPTCA1CA2
SCHEMBL766409 0.85 THRB (0.47) TSHRTHRBMAPTCA1CA2
SCHEMBL77168 0.85 THRB (0.47) TSHRTHRBMAPTCA1CA2
SCHEMBL11592491 0.85 THRB (0.47) TSHRTHRBMAPTCA1CA2
SCHEMBL2397962 0.85 THRB (0.47) TSHRTHRBMAPTCA1CA2
SCHEMBL17644807 0.85 ADRB2 (0.41) TSHRTHRBMAPTNR5A1CA1
SCHEMBL7172026 0.85 THRB (0.47) TSHRTHRBMAPTCA1CA2
SCHEMBL9119727 0.85 THRB (0.47) TSHRTHRBMAPTCA1CA2

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-4390712-A Aqueous solution of cationic organosilicon compounds and process for the production of the solutions DEGUSSA AG (DE) 1983-06-28 US disclosed