SCHEMBL6046998

SCHEMBL6046998

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.42
LTA4H P09960 3/20 0.39
TSHR P16473 2/20 0.39
KCNA3 P22001 1/20 0.33
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
LMNA P02545 1/20 0.31
NR1H2 P55055 1/20 0.31
BAX Q07812 1/20 0.31
MAOA P21397 1/20 0.31
SCN4A P35499 2/20 0.30
TAAR1 Q96RJ0 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RECQL P46063 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
TRPA1 O75762 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
SCHEMBL6047019 0.80 LTA4H (0.39) CA4LTA4HTSHRKCNA3CA5A
SCHEMBL11723342 0.76 LTA4H (0.36) CA4LTA4HTSHRKCNA3CA5A
SCHEMBL10895175 0.73 CA4 (0.32) CA4LTA4HTSHR
SCHEMBL465075 0.73 LTA4H (0.47) CA4LTA4HTSHRKCNA3CA5A
SCHEMBL7089314 0.69 LTA4H (0.50) CA4LTA4HTSHRKCNA3CA5A
SCHEMBL10503197 0.69 TSHR (0.43) CA4LTA4HTSHRKCNA3CA5A
SCHEMBL10937511 0.69 LTA4H (0.43) CA4LTA4HTSHRKCNA3CA5A
SCHEMBL6047052 0.69 CA4 (0.46) CA4LTA4HTSHRKCNA3LMNA
SCHEMBL10592534 0.69 CA4 (0.46) CA4LTA4HTSHRKCNA3CA5A
SCHEMBL6046974 0.69 LTA4H (0.43) CA4LTA4HTSHRKCNA3CA5A

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
US-20060292450-A1 Non-aqueous electrolyte secondary battery MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. 2006-12-28 US disclosed