SCHEMBL14970712

SCHEMBL14970712

FC(F)(F)c1ccc(OCCN2CCCCCC2)cc1

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.88
PSMB1 P20618 5/20 0.72
PSMB5 P28074 5/20 0.72
PSMB2 P49721 4/20 0.72
KDM4E B2RXH2 1/20 0.69
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
HRH3 Q9Y5N1 4/20 0.62
KCNH2 Q12809 1/20 0.61
MCHR1 Q99705 1/20 0.61
PTGS2 P35354 1/20 0.60
CACNA1H O95180 1/20 0.60
CACNA1B Q00975 1/20 0.60

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
Hydrochloric Acid SCHEMBL14966268 0.98 LTA4H (0.86) LTA4HPSMB1PSMB5PSMB2KDM4E
Boxidine SCHEMBL633445 0.94 LTA4H (0.83) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL4174980 0.86 LTA4H (0.71) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL24529993 0.84 LTA4H (0.69) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL17694433 0.84 KDM4E (0.97) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL12780029 0.84 KDM4E (0.97) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL7139384 0.83 LTA4H (1.00) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL12439972 0.83 LTA4H (0.67) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL19716249 0.82 PSMB1 (0.97) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL270794 0.82 KDM4E (1.00) LTA4HPSMB1PSMB5PSMB2KDM4E

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
WO-2013074965-A1 AMINOALKYL PHENOL ETHER INHIBITORS OF INFLUENZA A VIRUS MICROBIOTIX, INC. (US) 2013-05-23 WO disclosed