SCHEMBL28779129

SCHEMBL28779129

CCO[Si](CCCCCCNCCCN)(OCC)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA2 P00918 3/20 0.48
CA4 P22748 3/20 0.48
CA6 P23280 3/20 0.48
CA5A P35218 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
CA5B Q9Y2D0 3/20 0.48
F13A1 P00488 2/20 0.48
CYP1A2 P05177 2/20 0.48
ALOX15 P16050 2/20 0.48
THPO P40225 2/20 0.48
CASP2 P42575 2/20 0.48
MEN1 O00255 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CA3 P07451 2/20 0.46

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
SCHEMBL2833000 0.98 CA12 (0.50) CA12CA2CA4CA6CA5A
SCHEMBL29101225 0.94 CA12 (0.41) CA12CA2CA4CA6CA5A
SCHEMBL22228082 0.94 CA12 (0.41) CA12CA2CA4CA6CA5A
SCHEMBL31142102 0.94 CA12 (0.48) CA12CA2CA4CA6CA5A
SCHEMBL12190483 0.94 CA12 (0.41) CA12CA2CA4CA6CA5A
SCHEMBL31516286 0.94 CA12 (0.41) CA12CA2CA4CA6CA5A
SCHEMBL1072257 0.94 CA12 (0.41) CA12CA2CA4CA6CA5A
SCHEMBL568745 0.93 CA12 (0.46) CA12CA2CA4CA6CA5A
SCHEMBL5433507 0.93 CA12 (0.46) CA12CA2CA4CA6CA5A
SCHEMBL1585717 0.93 CA12 (0.41) CA12CA2CA4CA6CA5A

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
CN-114761482-A Method for producing polymer composition 株式会社引能仕材料 2022-07-15 CN disclosed