SCHEMBL6769982

SCHEMBL6769982

c1ccc(OCCOc2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.58
APP P05067 1/20 0.53
HDAC1 Q13547 1/20 0.53
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA10 Q9GZZ6 1/20 0.50
CHRNA9 Q9UGM1 1/20 0.50
NPC1 O15118 1/20 0.50
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPARD Q03181 1/20 0.47
PLA2G2A P14555 1/20 0.45
MAOA P21397 2/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
CTNNB1 P35222 1/20 0.44

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
SCHEMBL8746152 0.86 LTA4H (0.55) LTA4HAPPHDAC1CHRNB4CHRNA3
SCHEMBL2489895 0.85 LTA4H (0.51) LTA4HAPPHDAC1CHRNB4CHRNA3
SCHEMBL1196073 0.83 LTA4H (0.58) LTA4HAPPHDAC1CHRNB4CHRNA3
SCHEMBL8746105 0.83 HDAC1 (0.54) LTA4HHDAC1NPC1DRD2DRD3
SCHEMBL8746082 0.82 HDAC1 (0.56) LTA4HHDAC1NPC1DRD2DRD3
SCHEMBL8746072 0.82 HDAC1 (0.56) LTA4HHDAC1NPC1DRD2DRD3
SCHEMBL329575 0.82 ALOX5 (0.62) LTA4HNPC1KDM4EPLA2G2AMAOA
SCHEMBL3794813 0.81 LTA4H (0.60) LTA4HAPPHDAC1CHRNB4CHRNA3
SCHEMBL14481578 0.81 LTA4H (0.60) LTA4HAPPHDAC1CHRNB4CHRNA3
SCHEMBL3793622 0.81 LTA4H (0.60) LTA4HAPPHDAC1CHRNB4CHRNA3

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
US-6750242-B1 Positive modulators of nicotinic receptor agonists ASTRAZENECA AB (SE) 2004-06-15 US claimed
EP-1230216-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-08-14 EP claimed
WO-2001032619-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-05-10 WO claimed
US-6750242-B1 Positive modulators of nicotinic receptor agonists ASTRAZENECA AB (SE) 2004-06-15 US disclosed
EP-1230216-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-08-14 EP disclosed
WO-2001032619-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-05-10 WO disclosed