SCHEMBL4366446

SCHEMBL4366446

C=Cc1ccc(OCCCN(CCC)C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
AHR P35869 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
ATP4A P20648 2/20 0.37
ATP4B P51164 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3445694 0.94 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3444993 0.90 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3445058 0.84 TLR4 (0.42) MAOAMAOBAHRALDH1A1SMN1; SMN2
SCHEMBL3444402 0.82 MAOA (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3445157 0.82 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3445837 0.81 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3444400 0.79 MAOA (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL413985 0.79 CHRNB2 (0.66) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3445640 0.79 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3444178 0.79 TLR4 (0.45) MAOAMAOBAHRKDM4EKMT2A

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
EP-1829857-B1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORP (JP) 2009-11-04 EP disclosed
EP-1829857-A1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof Tosoh Corporation (JP) 2007-09-05 EP disclosed