SCHEMBL5598382

SCHEMBL5598382

CCO[Si](OCC)(OCC)C(C)(CC)OCC1CO1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 4/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5598477 0.87 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL5598453 0.87 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL5598840 0.84 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL5598344 0.84 SMN1; SMN2 (0.49) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL5598181 0.82 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL5598568 0.76 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL8355397 0.75 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL5360156 0.73 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL5598660 0.73 SMN1; SMN2 (0.47) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL5370012 0.72 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1SMN1; SMN2TP53

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