SCHEMBL8715289

SCHEMBL8715289

CC[Al](OC)OC.CC[Al](Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.41
LTA4H P09960 7/20 0.36
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNA4 P43681 2/20 0.33
TSHR P16473 1/20 0.33
KCNA3 P22001 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
NR1H2 P55055 1/20 0.31
BAX Q07812 1/20 0.31

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
SCHEMBL8900759 0.91 CA4 (0.42) CA4LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL9817929 0.76 LMNA (0.37) CA4LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL8715173 0.73 CA4 (0.42) CA4LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL27884238 0.71 LTA4H (0.40) CA4LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL10883757 0.70 CA4 (0.50) CA4LTA4HTSHRKCNA3MAOB
SCHEMBL7056924 0.66
SCHEMBL10879171 0.65 LTA4H (0.43) CA4LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL10880957 0.65 LTA4H (0.41) CA4LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL395207 0.64 CA4 (0.48) CA4LTA4HTSHRKCNA3LMNA
SCHEMBL394526 0.64 CA4 (0.48) CA4LTA4HTSHRKCNA3LMNA

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-5744678-A NICKEL COMPOUND, ORGANOPHOSPHORUS COMPOUND, ORGANOALUMINUM COMPOUND, CARBON-HALOGEN COMPOUNDS; CATALYST SELECTIVITY NIPPON OIL CO., LTD. (JP) 1998-04-28 US disclosed