SCHEMBL5598568

SCHEMBL5598568

CCCO[Si](OCCC)(OCCC)C(C)(CCC)OCC1CO1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 4/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARG P37231 1/20 0.30
HIF1A Q16665 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
SCHEMBL5598660 0.91 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL5598477 0.89 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL5598453 0.89 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL5598281 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL5598307 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL5598344 0.80 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL5366078 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL5598382 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL5375611 0.74 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL5598560 0.73 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1764398-B1 Hard coat composiiton and optical element ITOH OPTICAL IND (JP) 2015-07-22 EP disclosed
EP-1764398-A1 Hard coat composiiton and optical element Itoh Optical Industrial Co., Ltd. (JP) 2007-03-21 EP disclosed
EP-1273639-B1 OPTICAL ELEMENT ITOH OPTICAL IND (JP) 2006-10-25 EP disclosed
EP-1273639-A1 OPTICAL ELEMENT Itoh Optical Industrial Co., Ltd. (JP) 2003-01-08 EP disclosed