SCHEMBL9795309

SCHEMBL9795309

CC(C)(N)CC(=O)NC1CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.39
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
BCHE P06276 2/20 0.35
LMNA P02545 2/20 0.35
SMYD3 Q9H7B4 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
TMEM97 Q5BJF2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 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
SCHEMBL9019581 0.84 ALDH1A1 (0.39) ALDH1A1L3MBTL1SMN1; SMN2BCHELMNA
SCHEMBL9497713 0.81 BCHE (0.35) ALDH1A1BCHE
SCHEMBL9498023 0.81 BCHE (0.35) ALDH1A1BCHE
SCHEMBL9795372 0.81 HSD11B1 (0.37) HSD11B1ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL9795054 0.81 TDP1 (0.36) ALDH1A1BCHE
SCHEMBL9795195 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1SMN1; SMN2BCHELMNA
SCHEMBL9130345 0.79 ALDH1A1 (0.40) ALDH1A1L3MBTL1SMN1; SMN2BCHELMNA
SCHEMBL9497857 0.78 SMYD3 (0.44) ALDH1A1L3MBTL1SMYD3
SCHEMBL9497980 0.78 SMYD3 (0.44) ALDH1A1L3MBTL1SMYD3
SCHEMBL9795527 0.78 SMYD3 (0.44) ALDH1A1L3MBTL1SMYD3

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-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed