SCHEMBL9305781

SCHEMBL9305781

CO[Si](CCCCCCCCCCNCCN)(OC)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.44
CA6 P23280 5/20 0.44
CA7 P43166 5/20 0.44
CA9 Q16790 5/20 0.44
CA14 Q9ULX7 5/20 0.44
CA5B Q9Y2D0 5/20 0.44
CA2 P00918 4/20 0.44
CA4 P22748 4/20 0.44
CA5A P35218 4/20 0.44
CA3 P07451 3/20 0.44
ALOX15 P16050 3/20 0.42
MEN1 O00255 2/20 0.42
RECQL P46063 2/20 0.42
KMT2A Q03164 2/20 0.42
F13A1 P00488 2/20 0.42
CYP1A2 P05177 2/20 0.42
THPO P40225 2/20 0.42
CASP2 P42575 2/20 0.42
CYP2C19 P33261 2/20 0.42
HSD17B10 Q99714 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
SCHEMBL134809 1.00 CA12 (0.44) CA12CA6CA7CA9CA14
SCHEMBL8752912 1.00 CA12 (0.44) CA12CA6CA7CA9CA14
SCHEMBL21523567 1.00 CA12 (0.44) CA12CA6CA7CA9CA14
SCHEMBL28609728 1.00 CA12 (0.44) CA12CA6CA7CA9CA14
SCHEMBL28797445 1.00 CA12 (0.44) CA12CA6CA7CA9CA14
SCHEMBL12190425 0.98 CA12 (0.44) CA12CA6CA7CA9CA14
SCHEMBL156340 0.98 CA12 (0.46) CA12CA6CA7CA9CA14
SCHEMBL5149878 0.94 CA12 (0.46) CA12CA6CA7CA9CA14
SCHEMBL2059897 0.94 CA12 (0.46) CA12CA6CA7CA9CA14
SCHEMBL31142020 0.92 CA12 (0.52) CA12CA6CA7CA9CA14

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-8029577-B2 Lightening and/or dyeing of human keratin fibres via a composition comprising a particular amino silicon compound and composition and device L'OREAL S.A. (FR) 2011-10-04 US disclosed
US-20100297049-A1 LIGHTENING AND/OR DYEING OF HUMAN KERATIN FIBRES BY MEANS OF A COMPOSITION COMPRISING A PARTICULAR AMINO SILICON COMPOUND AND COMPOSITION AND DEVICE L'OREAL S.A. (FR) 2010-11-25 US disclosed
US-5329039-A Bromoalkyl trimethoxy silane, surface treatment of silica filler, improved water resistance of molding resins SHIN-ETSU CHEMICAL CO., LTD. (JP) 1994-07-12 US disclosed
EP-0484123-A1 Alkoxysilane compounds and their use as coupling agents SHIN-ETSU CHEMICAL CO., LTD. (JP) 1992-05-06 EP disclosed