SCHEMBL4965130

SCHEMBL4965130

Brc1ccc(C2CCN(CCOc3ccc(Oc4nc5ccccc5o4)cc3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.72
KCNH2 Q12809 1/20 0.68
HRH3 Q9Y5N1 1/20 0.48
PTGS2 P35354 1/20 0.46
KDM1A O60341 1/20 0.45
TLR9 Q9NR96 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
SCHEMBL2168554 0.92 LTA4H (0.77) LTA4HKCNH2HRH3TLR9
SCHEMBL2167724 0.87 LTA4H (0.74) LTA4HKCNH2HRH3TLR9
SCHEMBL2168682 0.84 LTA4H (1.00) LTA4HKCNH2TLR9
SCHEMBL2167826 0.84 LTA4H (0.80) LTA4HKCNH2HRH3TLR9
SCHEMBL2168051 0.82 LTA4H (0.95) LTA4HKCNH2TLR9
SCHEMBL2169516 0.82 LTA4H (1.00) LTA4HKCNH2TLR9
SCHEMBL2170260 0.82 LTA4H (1.00) LTA4HKCNH2HRH3TLR9
SCHEMBL2170316 0.81 LTA4H (1.00) LTA4HKCNH2TLR9
SCHEMBL2168424 0.81 LTA4H (1.00) LTA4HKCNH2TLR9
SCHEMBL2171372 0.81 LTA4H (0.86) LTA4HKCNH2HRH3PTGS2TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008100564-A1 LTA4H MODULATORS AND USES THEROF JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO claimed