SCHEMBL3445872

SCHEMBL3445872

C=Cc1ccc(OCCCCCC)cc1.CC(C)CNCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
NR5A1 Q13285 1/20 0.46
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
PLA2G4B P0C869 2/20 0.42
LTA4H P09960 3/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41

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
SCHEMBL3445730 0.99 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3444160 0.96 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3446197 0.90 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2623206 0.87 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL19971166 0.87 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2835258 0.87 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4906796 0.87 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2937499 0.87 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL19971161 0.87 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL19971155 0.87 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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