SCHEMBL6049371

SCHEMBL6049371

C[Si](C)(C)O[Si](C)(CCCOC(=O)c1ccccc1)O[Si](C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.62
LMNA P02545 3/20 0.54
TSHR P16473 3/20 0.45
MAPK1 P28482 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HIF1A Q16665 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
ESR1 P03372 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL29435359 0.87 TDP1 (0.47) TDP1LMNATSHRMAPK1L3MBTL1
SCHEMBL962297 0.86 TDP1 (0.64) TDP1LMNATSHRMAPK1L3MBTL1
SCHEMBL7216069 0.84 TDP1 (0.60) TDP1LMNATSHRMAPK1L3MBTL1
SCHEMBL26454774 0.81 TDP1 (0.66) TDP1LMNATSHRMAPK1L3MBTL1
SCHEMBL26455392 0.81 TDP1 (0.66) TDP1LMNATSHRMAPK1L3MBTL1
SCHEMBL14379637 0.81 TDP1 (0.45) TDP1LMNATSHRMAPK1L3MBTL1
SCHEMBL14379706 0.81 TDP1 (0.39) TDP1LMNAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL7210111 0.81 LMNA (0.56) TDP1LMNATSHRMAPK1SLC6A3
SCHEMBL14379663 0.80 TDP1 (0.44) TDP1LMNATSHRL3MBTL1SMN1; SMN2
SCHEMBL6273987 0.80 TDP1 (0.64) TDP1LMNATSHRMAPK1L3MBTL1

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
JP-2006225358-A SILOXANE ESTER COMPOUND, OIL COMPONENT FOR SKIN CARE PREPARATION OR HAIR COSMETIC, AND SKIN CARE PREPARATION OR HAIR COSMETIC PREPARED BY COMPOUNDING THE OIL COMPONENT SHISEIDO CO LTD 2006-08-31 JP disclosed