SCHEMBL8059480

SCHEMBL8059480

CCO[Si](CC)(NCCCN)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 2/20 0.37
CA12 O43570 2/20 0.32
F13A1 P00488 2/20 0.32
CA2 P00918 2/20 0.32
CYP1A2 P05177 2/20 0.32
ALOX15 P16050 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
THPO P40225 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
UBE2N P61088 1/20 0.31

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
SCHEMBL5182379 0.83 TSHR (0.33) CA12CA2CA7CA14CA1
SCHEMBL27626145 0.78 CYP1A2 (0.35) CASP2CA12F13A1CA2CYP1A2
Hydrochloric Acid SCHEMBL28032829 0.77 UBE2N (0.37) CASP2CA12F13A1CA2CYP1A2
SCHEMBL12190579 0.71 DNM1 (0.37) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL12794916 0.69 DNM1 (0.36) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL4208547 0.68 ACHE (0.32) TSHR
SCHEMBL4212188 0.68 ACHE (0.32) TSHR
SCHEMBL4219137 0.68 ACHE (0.32) TSHR
SCHEMBL11656872 0.68 CA12 (0.44) CASP2CA12F13A1CA2CYP1A2
SCHEMBL11763713 0.67 CA12 (0.43) CASP2CA12F13A1CA2CYP1A2

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
EP-1020486-A1 Basic condensation catalyst compositions for siloxanes Wacker-Chemie GmbH (DE) 2000-07-19 EP disclosed