SCHEMBL818992

SCHEMBL818992

CCOC([SiH3])(OCC)c1ccccc1N

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 3/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRA2B P18089 1/20 0.33
PTGS1 P23219 1/20 0.33
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
SCHEMBL28820101 0.78 TSHR (0.35)
SCHEMBL820793 0.78 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL1069637 0.76 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP1A2CYP2C19TDP1
SCHEMBL7629997 0.71 KCNN4 (0.40) ALDH1A1CYP3A4ALOX15
SCHEMBL27710960 0.70 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP1A2CYP3A4SMN1; SMN2
SCHEMBL15020650 0.69 CYP3A4 (0.41) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL2200728 0.69 CYP3A4 (0.41) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL3326120 0.69 CYP3A4 (0.41) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL7768002 0.68 CYP4F2 (0.35)
SCHEMBL10351146 0.68 TDP1 (0.43) ALDH1A1CYP1A2CYP3A4TDP1SMN1; SMN2

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-8652318-B2 Oleophobic surface coatings XEROX CORPORATION (US) 2014-02-18 US disclosed
US-20110279516-A1 OLEOPHOBIC SURFACE COATINGS XEROX CORPORATION (US) 2011-11-17 US disclosed
EP-2230036-A1 Metal nanoparticle composition with improved adhesion Xerox Corporation (US) 2010-09-22 EP disclosed
US-20100233361-A1 METAL NANOPARTICLE COMPOSITION WITH IMPROVED ADHESION XEROX CORPORATION (US) 2010-09-16 US disclosed