SCHEMBL6823290

SCHEMBL6823290

O=[N+]([O-])c1ccccc1COc1ccccc1O.Oc1ccccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.49
APP P05067 1/20 0.49
HTR1A P08908 3/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
POLB P06746 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SGMS2 Q8NHU3 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 2/20 0.46
RECQL P46063 1/20 0.45
KDM4A O75164 1/20 0.45
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45

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
SCHEMBL5594953 0.93 MAOB (0.55) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL6823293 0.86 HTR1A (0.49) APPHTR1AADRA1DADRA1AADRA1B
SCHEMBL30015078 0.81 NPC1 (0.68) HTR1AADRA1DADRA1AADRA1BPOLB
SCHEMBL2305236 0.81 NPC1 (0.68) HTR1AADRA1DADRA1AADRA1BPOLB
SCHEMBL10789091 0.81 NPC1 (0.68) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL5594949 0.80 HTR1A (0.53) HTR1AADRA1DADRA1AADRA1BPOLB
SCHEMBL130119 0.79 APP (0.72) APPHTR1AADRA1DADRA1AADRA1B
SCHEMBL5860355 0.78 ALDH1A1 (0.46) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL30318898 0.77 HPD (0.49) APPHTR1AADRA1DADRA1AADRA1B
SCHEMBL3088462 0.77 HTR1A (0.50) HTR1AADRA1DADRA1AADRA1BPOLB

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-1185261-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-25 EP disclosed
EP-1185261-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
WO-2000076495-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed