SCHEMBL3445729

SCHEMBL3445729

C=Cc1ccc(OCCCN(C(C)CC)C(C)CC)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
AHR P35869 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LSS P48449 1/20 0.36

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
SCHEMBL3444410 0.96 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3446522 0.94 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3444418 0.94 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3445157 0.86 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3444993 0.86 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3444785 0.83 TLR4 (0.40) CHRNB2CHRNA7CHRNA4ALDH1A1KDM4E
SCHEMBL3445480 0.82 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3445828 0.81 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3445259 0.81 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3446357 0.80 KDM4E (0.40) CHRNA7ALDH1A1KDM4ESMN1; SMN2LMNA

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