SCHEMBL9128808

SCHEMBL9128808

NC(=O)CCC(=O)NC1CCCCC1O[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSR P00390 6/20 0.44
BCHE P06276 4/20 0.40
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL9795129 0.87 GSR (0.45) GSRBCHEALDH1A1SMN1; SMN2CA2
SCHEMBL9501683 0.87 GSR (0.45) GSRBCHEALDH1A1SMN1; SMN2CA2
SCHEMBL9128824 0.83 GSR (0.41) GSRBCHEALDH1A1MAPTTDP1
SCHEMBL9795186 0.82 GSR (0.51) GSRBCHEALDH1A1MAPTCA2
SCHEMBL9497885 0.81 GSR (0.42) GSRBCHEMAPTTDP1L3MBTL1
SCHEMBL9795375 0.81 GSR (0.42) GSRBCHEMAPTTDP1L3MBTL1
SCHEMBL9795291 0.78 GSR (0.42) GSRBCHEALDH1A1MAPTCA2
SCHEMBL9795344 0.78 GSR (0.44) GSRBCHEALDH1A1MAPTCA2
Fumaric Acid SCHEMBL9795206 0.77 GSR (0.41) GSRBCHEALDH1A1SMN1; SMN2CA2
SCHEMBL9019570 0.76 GSR (0.51) GSRBCHEALDH1A1MAPTCA2

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
US-5411989-A Cardiovascular disorders BOEHRINGER MANNHEIM, GMBH (DE) 1995-05-02 US disclosed