SCHEMBL4692830

SCHEMBL4692830

COC(=O)OC1CCN(CCc2ccc(Oc3nc4ccccc4o3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.55
KCNH2 Q12809 6/20 0.49
TACR2 P21452 1/20 0.43
TACR1 P25103 1/20 0.43
HRH1 P35367 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2169992 0.87 LTA4H (0.57) LTA4HKCNH2TACR2TACR1HRH1
SCHEMBL2168040 0.83 LTA4H (0.77) LTA4HKCNH2
SCHEMBL2169586 0.80 LTA4H (0.74) LTA4HKCNH2
SCHEMBL4743151 0.80 LTA4H (0.76) LTA4HKCNH2
SCHEMBL2167824 0.79 LTA4H (0.75) LTA4HKCNH2
SCHEMBL2169369 0.79 LTA4H (0.75) LTA4HKCNH2
SCHEMBL2168556 0.78 LTA4H (0.74) LTA4HKCNH2
SCHEMBL2167878 0.74 LTA4H (0.79) LTA4HKCNH2LMNASMN1; SMN2
SCHEMBL2169707 0.74 LTA4H (0.58) LTA4HKCNH2
SCHEMBL2168408 0.73 LTA4H (0.78) LTA4HKCNH2

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