SCHEMBL14970684

SCHEMBL14970684

COc1ccc(OCCN2CCCCCC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.82
POLB P06746 1/20 0.70
MAPT P10636 1/20 0.70
PSMB1 P20618 7/20 0.70
PSMB5 P28074 7/20 0.70
PSMB2 P49721 5/20 0.70
HRH3 Q9Y5N1 2/20 0.68
KDM4E B2RXH2 2/20 0.66
DRD3 P35462 1/20 0.63

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
SCHEMBL15257179 1.00 LTA4H (0.82) LTA4HPOLBMAPTPSMB1PSMB5
Hydrochloric Acid SCHEMBL14966283 0.98 LTA4H (0.79) LTA4HPOLBMAPTPSMB1PSMB5
SCHEMBL7443460 0.93 LTA4H (0.77) LTA4HPOLBMAPTPSMB1PSMB5
Anisole SCHEMBL28200949 0.92 LTA4H (0.71) LTA4HPOLBMAPTPSMB1PSMB5
SCHEMBL11881017 0.91 LTA4H (0.69) LTA4HPOLBMAPTPSMB1PSMB5
SCHEMBL11876046 0.89 LTA4H (0.71) LTA4HPOLBMAPTPSMB1PSMB5
SCHEMBL7135450 0.89 LTA4H (0.81) LTA4HPOLBMAPTPSMB1PSMB5
SCHEMBL7392197 0.88 POLB (0.74) POLBMAPTHRH3
Hydrochloric Acid SCHEMBL7403383 0.87 POLB (0.72) POLBMAPTHRH3
SCHEMBL4099964 0.87 HRH3 (0.84) POLBMAPTHRH3

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