Undecane

Undecane

SCHEMBL6521219

CCCCCCCCCCC.CO[SiH](OC)OC.O=C1NC(=O)c2ccccc21

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.52
CASP3 P42574 1/20 0.46
CASP2 P42575 1/20 0.46
CASP7 P55210 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
PTPN1 P18031 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
CES1 P23141 2/20 0.40
CDC25A P30304 2/20 0.40
MMP3 P08254 1/20 0.40

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
Phthalimide SCHEMBL11869376 0.89 GSK3B (0.65) GSK3BCASP3CASP2CASP7CASP6
Phthalimide SCHEMBL17729108 0.83 GSK3B (0.68) GSK3BCASP3CASP2CASP7CASP6
Phthalimide SCHEMBL10725622 0.80 GSK3B (0.48) GSK3BCASP3CASP2CASP7CASP6
Phthalimide SCHEMBL28946377 0.79 GSK3B (0.75) GSK3BCASP3CASP2CASP7CASP6
Phthalimide SCHEMBL8693407 0.79 GSK3B (0.56) GSK3BCASP3CASP2CASP7CASP6
Tetrabuthylammonium SCHEMBL8967570 0.79 GSK3B (0.56) GSK3BCASP3CASP2CASP7CASP6
Tetrabuthylammonium SCHEMBL28914816 0.77 GSK3B (0.54) GSK3BCASP3CASP2CASP7CASP6
Phthalimide SCHEMBL28322032 0.77 GSK3B (0.48) GSK3BCASP3CASP2CASP7CASP6
Phthalimide SCHEMBL28193801 0.77 GSK3B (0.79) GSK3BCASP3CASP2CASP7CASP6
Phthalimide SCHEMBL27955087 0.77 GSK3B (0.79) GSK3BCASP3CASP2CASP7CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296870-B2 Modification of surfaces with nanoparticles THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-03-29 US disclosed
US-20110059264-A1 MODIFICATION OF SURFACES WITH NANOPARTICLES NATIONAL SCIENCE FOUNDATION 2011-03-10 US disclosed