SCHEMBL16378043

SCHEMBL16378043

CC(CCC(N)=O)(CCC(N)=O)[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 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
SCHEMBL27538773 0.90 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL15570883 0.80 LMNA (0.44) ALDH1A1L3MBTL1LMNA
SCHEMBL14008682 0.75 TSHR (0.46) ALDH1A1L3MBTL1LMNA
SCHEMBL16334088 0.74 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL18486262 0.74 LMNA (0.43) ALDH1A1L3MBTL1LMNA
SCHEMBL3574845 0.71 ALDH1A1 (0.42) ALDH1A1LMNA
SCHEMBL179561 0.71
SCHEMBL6523952 0.69 TSHR (0.38) ALDH1A1L3MBTL1
SCHEMBL9348946 0.69 MEN1 (0.39) ALDH1A1L3MBTL1LMNA
SCHEMBL19526005 0.69

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
WO-2014210132-A2 VALENCY DEPENDENT BIOACTIVE HYDROXYAPATITE-BINDING DENDRONS THE UNIVERSITY OF AKRON (US) 2014-12-31 WO disclosed