SCHEMBL6046974

SCHEMBL6046974

BrC(Br)(Br)C(Br)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.43
TSHR P16473 1/20 0.43
CA4 P22748 1/20 0.39
KCNA3 P22001 1/20 0.36
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
NR1H2 P55055 1/20 0.33
BAX Q07812 1/20 0.33
MAOA P21397 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
RECQL P46063 1/20 0.32
CA9 Q16790 1/20 0.32
SRC P12931 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ALOX15 P16050 1/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL10883942 0.87 LTA4H (0.38) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL6046986 0.85 LTA4H (0.32) LTA4HTSHRCA4
SCHEMBL6047053 0.84 LTA4H (0.39) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL6047041 0.83 HTR7 (0.33) LTA4HTSHRALDH1A1
SCHEMBL1685763 0.79
SCHEMBL6046993 0.79
SCHEMBL10937511 0.78 LTA4H (0.43) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL6047016 0.78 TDP1 (0.42) TDP1
SCHEMBL10781190 0.78 CA2 (0.32) CA4CA2
Alcohol SCHEMBL11043393 0.77 ALDH1A1 (0.35) LTA4HCA4KCNA3ALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4716251-A Diaryloxyalkane bromination process ETHYL CORPORATION (US) 1987-12-29 US claimed
US-20060292450-A1 Non-aqueous electrolyte secondary battery MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. 2006-12-28 US disclosed