SCHEMBL4693947

SCHEMBL4693947

CC(CCN)(CCc1ccc(Oc2nc3ccccc3s2)cc1)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 19/20 0.54
KCNH2 Q12809 10/20 0.54
EPHX2 P34913 1/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 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
SCHEMBL4692982 0.80 LTA4H (0.64) LTA4HKCNH2EPHX2
SCHEMBL5610044 0.79 LTA4H (0.60) LTA4HKCNH2EPHX2PPARGPPARA
Hydrochloric Acid SCHEMBL2170240 0.79 LTA4H (0.62) LTA4HKCNH2EPHX2
SCHEMBL2179829 0.78 LTA4H (0.64) LTA4HKCNH2EPHX2
SCHEMBL5001616 0.78 LTA4H (0.44) LTA4HKCNH2PPARGPPARA
SCHEMBL4998290 0.78 LTA4H (0.44) LTA4HKCNH2
SCHEMBL22209100 0.78 LTA4H (0.56) LTA4HKCNH2EPHX2PPARGPPARA
SCHEMBL22209144 0.76 LTA4H (0.57) LTA4HKCNH2EPHX2PPARGPPARA
Ammonia Solution, Strong SCHEMBL6365045 0.76 LTA4H (0.53) LTA4HKCNH2
SCHEMBL22224215 0.75 LTA4H (0.56) LTA4HKCNH2EPHX2PPARGPPARA

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