SCHEMBL5050666

SCHEMBL5050666

O=C(O)N1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.69
FFAR1 O14842 3/20 0.57
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGS2 P35354 1/20 0.45
HRH3 Q9Y5N1 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
SCHEMBL5413716 0.89 FFAR1 (0.55) LTA4HFFAR1HRH3
SCHEMBL5631841 0.87 LTA4H (0.72) LTA4HFFAR1KMT2A
SCHEMBL5631838 0.87 LTA4H (0.72) LTA4HFFAR1KMT2A
SCHEMBL4140738 0.85 ABHD6 (0.54) LTA4HFFAR1
SCHEMBL15811746 0.85 ABHD6 (0.54) LTA4HFFAR1
SCHEMBL2258523 0.84 ABHD6 (0.54) LTA4HKMT2A
SCHEMBL28159876 0.84 FFAR1 (0.53) LTA4HFFAR1HRH3
SCHEMBL16468435 0.84 LTA4H (0.49) LTA4HHRH3
SCHEMBL13809008 0.84 LTA4H (0.93) LTA4HFFAR1
SCHEMBL4319104 0.83 LTA4H (0.58) LTA4HFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926708-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION Decode Chemistry, Inc. (US) 2008-06-04 EP disclosed
WO-2007040682-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2007-04-12 WO disclosed