SCHEMBL6853632

SCHEMBL6853632

CC1(C)OCC(C2OC(=O)C(OC[Si](C)(C)C)=C2OCc2ccccc2)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
HPSE Q9Y251 1/20 0.34
TP53 P04637 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
CYP3A4 P08684 2/20 0.32
PKM P14618 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8539003 0.92 TMEM97 (0.37) TMEM97SIGMAR1HPSETP53OPRM1
SCHEMBL13013398 0.92 TMEM97 (0.37) TMEM97SIGMAR1HPSETP53OPRM1
SCHEMBL10703049 0.92 TMEM97 (0.37) TMEM97SIGMAR1HPSETP53OPRM1
SCHEMBL6855778 0.89 HPSE (0.34) TMEM97SIGMAR1HPSETP53OPRM1
SCHEMBL13868581 0.85 HPSE (0.39) TMEM97SIGMAR1HPSETP53OPRM1
SCHEMBL16950173 0.85 TMEM97 (0.38) TMEM97SIGMAR1HPSETP53OPRM1
SCHEMBL16950251 0.84 TMEM97 (0.32) TMEM97SIGMAR1HPSETP53OPRM1
SCHEMBL17068337 0.84 TMEM97 (0.36) TMEM97SIGMAR1HPSETP53OPRM1
SCHEMBL17068318 0.84 TMEM97 (0.36) TMEM97SIGMAR1HPSETP53OPRM1
SCHEMBL886854 0.83 TMEM97 (0.38) TMEM97SIGMAR1HPSETP53OPRM1

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
US-6780888-B1 FAT-SOLUBLE AND STABLE SILICON-CONTAINING DERIVATIVES OF ASCORBIC ACID L'OREAL S.A. (FR) 2004-08-24 US disclosed
EP-1228075-B1 SILICON COMPOUNDS DERIVED FROM ASCORBIC ACID OREAL (FR) 2003-06-18 EP disclosed
EP-1228075-A1 SILICON COMPOUNDS DERIVED FROM ASCORBIC ACID L'OREAL (FR) 2002-08-07 EP disclosed
WO-2001030784-A1 SILICON COMPOUNDS DERIVED FROM ASCORBIC ACID L'OREAL (FR) 2001-05-03 WO disclosed