SCHEMBL5144697

SCHEMBL5144697

O=C(Cc1ccccc1)c1ccc(OC[C@H]2CCCN2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNA5 P30532 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
SPHK2 Q9NRA0 1/20 0.46
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
STS P08842 1/20 0.44
EGFR P00533 2/20 0.44
S1PR5 Q9H228 1/20 0.44
LTA4H P09960 3/20 0.43
ABHD6 Q9BV23 2/20 0.43
DAGLA Q9Y4D2 2/20 0.43
POLB P06746 1/20 0.43
PPARG P37231 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4312768 0.86 CHRNB2 (0.46) CHRNB2CHRNA5CHRNA7CHRNA4HRH2
SCHEMBL13808960 0.86 CHRNB2 (0.46) CHRNB2CHRNA5CHRNA7CHRNA4HRH2
SCHEMBL5132712 0.85 CHRNB2 (0.58) CHRNB2CHRNA5CHRNA7CHRNA4SPHK2
SCHEMBL5315779 0.85 CHRNB2 (0.58) CHRNB2CHRNA5CHRNA7CHRNA4SPHK2
SCHEMBL15811746 0.85 ABHD6 (0.54) CHRNB2CHRNA5CHRNA7CHRNA4LTA4H
SCHEMBL4140738 0.85 ABHD6 (0.54) CHRNB2CHRNA5CHRNA7CHRNA4LTA4H
SCHEMBL5413716 0.84 FFAR1 (0.55) CHRNB2CHRNA5CHRNA7CHRNA4LTA4H
SCHEMBL17008464 0.81 ABHD6 (0.58) LTA4HABHD6DAGLA
SCHEMBL16468435 0.79 LTA4H (0.49) CHRNB2CHRNA7CHRNA4LTA4HPOLB
SCHEMBL28159876 0.79 FFAR1 (0.53) CHRNB2CHRNA4LTA4HALDH1A1

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