SCHEMBL3445158

SCHEMBL3445158

C=Cc1ccc(OCCC)cc1.CC(C)NC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA7 P36544 1/20 0.54
CHRNA4 P43681 1/20 0.54
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42

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
SCHEMBL3445482 0.94 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3445261 0.91 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3445829 0.89 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL411759 0.88 CHRNA7 (0.66) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4366422 0.88 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Dimethylamine SCHEMBL3444421 0.86 CHRNA7 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4366447 0.86 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3446197 0.84 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Diethylamine SCHEMBL3445141 0.83 CHRNA7 (0.57) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3444152 0.82 ADRB2 (0.44) CHRNA7KMT2AKDM4EACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816475-B2 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORPORATION (JP) 2010-10-19 US disclosed
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
US-20070213490-A1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORPORATION 2007-09-13 US 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