SCHEMBL6533465

SCHEMBL6533465

O=C(NCC(C(=O)O)C1CCCCC1)OCOC(=O)c1cccc(CO[N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 8/20 0.45
ALDH1A1 P00352 1/20 0.36
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 3/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6533444 0.86 TMEM97 (0.55) TMEM97ALDH1A1LMNA
SCHEMBL6531544 0.83 TMEM97 (0.43) TMEM97
SCHEMBL6531412 0.82 ALDH1A1 (0.35) TMEM97ALDH1A1LMNAMEN1KMT2A
SCHEMBL27632659 0.79 TMEM97 (0.39) TMEM97ALDH1A1ROCK2ROCK1LMNA
SCHEMBL6478425 0.79 CYP2C9 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL3119889 0.77 TMEM97 (0.41) TMEM97ALDH1A1ROCK2ROCK1LMNA
SCHEMBL13016818 0.77 TMEM97 (0.39) TMEM97ALDH1A1ROCK2ROCK1
SCHEMBL3104786 0.77 TMEM97 (0.39) TMEM97ALDH1A1ROCK2ROCK1
SCHEMBL6531126 0.76 TMEM97 (0.50) TMEM97ALDH1A1LMNA
SCHEMBL6479225 0.71 PRMT5 (0.41) TMEM97ALDH1A1LMNAMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572627-A1 DRUGS FOR CHRONIC PAIN Nicox S.A. (FR) 2005-09-14 EP disclosed
WO-2004054965-A1 DRUGS FOR CHRONIC PAIN NICOX S.A. (FR) 2004-07-01 WO disclosed