SCHEMBL9795265

SCHEMBL9795265

O=C(CC1CCC(O[N+](=O)[O-])CC1)NCCN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
DGAT1 O75907 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9795073 0.89 TMEM97 (0.38) GAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL9795139 0.88 CA12 (0.39) GAAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9795556 0.83 ALDH1A1 (0.53) L3MBTL1ALDH1A1KMT2AMEN1TDP1
SCHEMBL9499990 0.80 GAA (0.44) GAAL3MBTL1ALDH1A1KMT2AMEN1
Fumaric Acid SCHEMBL9795313 0.78 ALDH1A1 (0.47) L3MBTL1ALDH1A1KMT2AMEN1TDP1
SCHEMBL9795057 0.77 EPHX2 (0.33)
SCHEMBL9795185 0.75 KEAP1 (0.36)
SCHEMBL14223309 0.75 ALDH1A1 (0.48) ALDH1A1KMT2ATDP1POLBSMN1; SMN2
SCHEMBL9795196 0.74 DGAT1 (0.36) L3MBTL1ALDH1A1POLBLMNADGAT1
SCHEMBL9795301 0.73 TDP1 (0.39) GAAL3MBTL1ALDH1A1KMT2AMEN1

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