SCHEMBL6579241

SCHEMBL6579241

CCCCOCC(=O)N(CCCCCCO)c1cc([N+](=O)[O-])ccc1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
CACNA1F O60840 5/20 0.39
CACNA1D Q01668 5/20 0.39
CACNA1S Q13698 5/20 0.39
CACNA1C Q13936 5/20 0.39
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL6576899 0.95 SMN1; SMN2 (0.46) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6578796 0.93 SMN1; SMN2 (0.41) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6579094 0.90 SMN1; SMN2 (0.46) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6577428 0.90 SMN1; SMN2 (0.46) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6579171 0.88 SMN1; SMN2 (0.48) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6581100 0.88 SMN1; SMN2 (0.42) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6579151 0.88 SMN1; SMN2 (0.43) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6578971 0.88 POLB (0.40) SMN1; SMN2ALDH1A1TDP1MAPTKMT2A
SCHEMBL6579864 0.85 SMN1; SMN2 (0.42) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6582316 0.84 SMN1; SMN2 (0.45) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed