SCHEMBL8920591

SCHEMBL8920591

C[Si](C)(C)O[C@H](CC(=O)O)[C@@H](O[Si](C)(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
PYGL P06737 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
PGD P52209 2/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
FOLH1 Q04609 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1865683 0.79 ALDH1A1 (0.33) TDP1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL7704009 0.77 SLC1A3 (0.40) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8909706 0.77 SLC1A3 (0.40) MMP1MMP2MMP3MMP9MMP13
SCHEMBL7704000 0.77 SLC1A3 (0.40) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8908361 0.74 TDP1 (0.39) TDP1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL30504166 0.69
SCHEMBL4149922 0.65 LMNA (0.34) TDP1SMN1; SMN2SLC22A6PGD
SCHEMBL27200152 0.65 SLC6A2 (0.31) TDP1SLC22A6
SCHEMBL8623151 0.65 LMNA (0.34) TDP1SMN1; SMN2SLC22A6
SCHEMBL4149930 0.65 LMNA (0.34) TDP1SMN1; SMN2SLC22A6PGD

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
US-5681504-A LIQUID CRYSTAL DOPANTS ROLIC AG (CH) 1997-10-28 US disclosed
US-5498367-A LIQUID CRYSTALS, 2-(PHENYL ETHYNYLPHENYL)-1,3-DIOXOLANE-4,5-DICARBOXYLATES HOFFMANN-LA ROCHE INC. (US) 1996-03-12 US disclosed