SCHEMBL3445705

SCHEMBL3445705

C=Cc1cccc(OCCCN(CCCC)CCCC)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
BCHE P06276 5/20 0.48
ACHE P22303 3/20 0.44
FDPS P14324 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ATP4A P20648 2/20 0.42
ATP4B P51164 2/20 0.42
CYP2D6 P10635 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
SCHEMBL3445731 0.97 TLR4 (0.47) TLR4TLR2BCHEACHEFDPS
SCHEMBL3445153 0.96 BCHE (0.49) TLR4TLR2BCHEACHEMAOA
SCHEMBL3445873 0.94 BCHE (0.50) TLR4TLR2BCHEACHEMAOA
SCHEMBL3444484 0.94 BCHE (0.50) TLR4TLR2BCHEACHEMAOA
SCHEMBL3445719 0.94 BCHE (0.48) TLR4TLR2BCHEACHEFDPS
SCHEMBL3445860 0.90 MAOA (0.53) TLR4TLR2BCHEACHEMAOA
SCHEMBL3454322 0.90 KDM4E (0.54) TLR4TLR2BCHEACHEMAOA
SCHEMBL3445454 0.89 MAOA (0.55) TLR4TLR2BCHEACHEMAOA
SCHEMBL3446192 0.89 MAOA (0.55) TLR4TLR2BCHEACHEMAOA
SCHEMBL4543255 0.88 MAOA (0.42) TLR4TLR2BCHEACHEFDPS

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