SCHEMBL8747352

SCHEMBL8747352

CC(=O)OCc1ccccc1[N+](=O)[O-].[NaH]

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.59
ALDH1A1 P00352 8/20 0.50
HTT P42858 2/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C19 P33261 2/20 0.45
POLB P06746 1/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL1108184 0.98 MAOB (0.61) MAOBALDH1A1HTTTSHRMEN1
Acetic Acid SCHEMBL1357849 0.95 MAOB (0.58) MAOBALDH1A1HTTTSHRMEN1
Acetic Acid SCHEMBL9258637 0.85 MAOB (0.49) MAOBALDH1A1HTTTSHRMEN1
SCHEMBL286962 0.85 MAOB (0.56) MAOBALDH1A1HTTTSHRMEN1
SCHEMBL5604448 0.84 MAOB (0.50) MAOBALDH1A1HTTTSHRMEN1
SCHEMBL11062937 0.84 TDP1 (0.53) MAOBALDH1A1HTTTSHRMEN1
SCHEMBL7421292 0.84 MAOB (0.52) MAOBALDH1A1HTTTSHRMEN1
SCHEMBL1104649 0.84 MAOB (0.56) MAOBALDH1A1HTTTSHRMEN1
SCHEMBL5932809 0.83 MAOB (0.55) MAOBALDH1A1HTTTSHRMEN1
SCHEMBL602067 0.83 MAOB (0.55) MAOBALDH1A1HTTTSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548186-B1 CEPHALOSPORIN DERIVATIVES AND THEIR HOMOLOGUES BEECHAM GROUP PLC (GB) 1997-03-05 EP disclosed
EP-0416810-B1 Cephalosporin compounds, process for their preparation, pharmaceutical compositions and intermediates BEECHAM GROUP PLC (GB) 1995-02-08 EP disclosed
US-5275816-A Cephalosporin derivatives BEECHAM GROUP P.L.C. (GB) 1994-01-04 US disclosed
EP-0548186-A1 CEPHALOSPORIN DERIVATIVES AND THEIR HOMOLOGUES. BEECHAM GROUP PLC (GB) 1993-06-30 EP disclosed
WO-1992004353-A1 CEPHALOSPORIN DERIVATIVES AND THEIR HOMOLOGUES BEECHAM GROUP PLC (GB) 1992-03-19 WO disclosed
EP-0416810-A2 Cephalosporin compounds, process for their preparation, pharmaceutical compositions and intermediates Beecham Group p.l.c. (GB) 1991-03-13 EP disclosed