SCHEMBL4693776

SCHEMBL4693776

CC(O)OCCN(CCc1ccc(Oc2nc3ccccc3s2)cc1)CC1CC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 20/20 0.52
KCNH2 Q12809 11/20 0.52
EPHX2 P34913 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
SCHEMBL29936643 0.86 LTA4H (0.56) LTA4HKCNH2
SCHEMBL2168385 0.86 LTA4H (0.58) LTA4HKCNH2EPHX2
SCHEMBL2167786 0.86 LTA4H (0.56) LTA4HKCNH2
SCHEMBL2169020 0.85 LTA4H (0.54) LTA4HKCNH2EPHX2
SCHEMBL2167904 0.84 LTA4H (0.56) LTA4HKCNH2EPHX2
SCHEMBL2169597 0.83 LTA4H (0.55) LTA4HKCNH2EPHX2
SCHEMBL4693779 0.82 LTA4H (0.54) LTA4HKCNH2EPHX2
SCHEMBL4693774 0.82 LTA4H (0.59) LTA4HKCNH2EPHX2
SCHEMBL2168410 0.82 LTA4H (0.52) LTA4HKCNH2EPHX2
SCHEMBL2170463 0.81 LTA4H (0.54) LTA4HKCNH2EPHX2

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
EP-1660492-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-20 EP claimed