SCHEMBL11244902

SCHEMBL11244902

FC(F)(F)c1cccc(OCCN2CCCCCCC2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.81
HRH3 Q9Y5N1 1/20 0.77
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 3/20 0.63
GAA P10253 3/20 0.63
LMNA P02545 1/20 0.63
HTT P42858 1/20 0.63
KMT2A Q03164 1/20 0.63
BACE1 P56817 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.58
HTR1A P08908 1/20 0.57
HTR7 P34969 1/20 0.57
DRD2 P14416 1/20 0.57
GALR3 O60755 2/20 0.57
POLB P06746 1/20 0.55
DRD5 P21918 1/20 0.55
ADRA1A P35348 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PSMB1 P20618 1/20 0.54
PSMB5 P28074 1/20 0.54

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
SCHEMBL14970473 1.00 LTA4H (0.81) LTA4HHRH3KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL14969107 0.99 LTA4H (0.79) LTA4HHRH3KDM4EALDH1A1GAA
SCHEMBL13150800 0.89 LMNA (0.74) LTA4HHRH3KDM4EALDH1A1GAA
SCHEMBL13761627 0.86 KDM4E (0.67) LTA4HHRH3KDM4EALDH1A1GAA
SCHEMBL13150628 0.85 GAA (0.66) LTA4HHRH3KDM4EALDH1A1GAA
SCHEMBL4181640 0.85 LTA4H (0.71) LTA4HHRH3KDM4EALDH1A1GAA
SCHEMBL30628313 0.84 KDM4E (0.61) LTA4HHRH3KDM4EALDH1A1GAA
SCHEMBL17420707 0.84 KDM4E (0.61) LTA4HHRH3KDM4EALDH1A1GAA
SCHEMBL270256 0.84 KDM4E (0.68) LTA4HHRH3KDM4EALDH1A1HTT
SCHEMBL13150609 0.84 LTA4H (0.62) LTA4HHRH3KDM4EALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0017209-B1 SUBSTITUTED ALKYLAMMONIUM SALTS, THEIR PREPARATION AND USE IN PLANT GROWTH REGULATION BASF Aktiengesellschaft (DE) 1982-12-22 EP disclosed
US-4350518-A Plant growth regulating substituted alkylammonium salts BASF AKTIENGESELLSCHAFT (DE) 1982-09-21 US disclosed
EP-0017209-A1 Substituted alkylammonium salts, their preparation and use in plant growth regulation BASF Aktiengesellschaft (DE) 1980-10-15 EP disclosed