SCHEMBL16698562

SCHEMBL16698562

C=CNCc1ccccc1.CCC[Si](OCC)(OCC)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH7 P40394 1/20 0.40
PPID Q08752 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 4/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
NAMPT P43490 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL248336 0.78 ADH1B (0.60) ADH1BADH1CADH1AADH7SMN1; SMN2
Chloromethane SCHEMBL1227512 0.76 ADH1B (0.54) ADH1BADH1CADH1AADH7SMN1; SMN2
Hydrochloric Acid SCHEMBL1228267 0.76 ADH1B (0.58) ADH1BADH1CADH1AADH7SMN1; SMN2
Bromide SCHEMBL27585090 0.76 ADH1B (0.58) ADH1BADH1CADH1AADH7SMN1; SMN2
SCHEMBL2855167 0.76 ADH1B (0.58) ADH1BADH1CADH1AADH7SMN1; SMN2
Ethylamine SCHEMBL27500018 0.75 ADH1B (0.48) ADH1BADH1CADH1AADH7SMN1; SMN2
SCHEMBL8780193 0.75 ADH1B (0.52) ADH1BADH1CADH1AADH7SMN1; SMN2
Dimethylamine SCHEMBL7861093 0.75 MAPT (0.56) ADH1BADH1CADH1AADH7SMN1; SMN2
SCHEMBL26100773 0.74 SMN1; SMN2 (0.38) ADH1BADH1CADH1AADH7PPID
SCHEMBL15361183 0.74 MEN1 (0.53) SMN1; SMN2MAPTMEN1GAAKMT2A

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-9180716-B2 Recording material HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2015-11-10 US disclosed
US-20150132509-A1 RECORDING MATERIAL HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2015-05-14 US disclosed