SCHEMBL28804352

SCHEMBL28804352

C=[N+]([O-])C(C)(C)C.CC(C)(C)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
GALR3 O60755 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL3175574 0.86
SCHEMBL1330527 0.86
SCHEMBL1122744 0.86
SCHEMBL3635527 0.82
Ammonia Solution, Strong SCHEMBL14248697 0.82
SCHEMBL4886221 0.82
Methylamine SCHEMBL11518045 0.79
SCHEMBL27296549 0.73
SCHEMBL8060213 0.72
SCHEMBL1720481 0.72

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-103172868-A Siloxane nitrones and their application EVONIK INDUSTRIES AG 2013-06-26 CN disclosed