SCHEMBL3445443

SCHEMBL3445443

C=Cc1ccccc1OCCCCC.CC(C)CNCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
ADRB2 P07550 3/20 0.40
ADRB1 P08588 3/20 0.40
LMNA P02545 3/20 0.40
HTR2B P41595 2/20 0.40
CYP1A2 P05177 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR1A P08908 1/20 0.40
ADRB3 P13945 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
BDKRB2 P30411 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40

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
SCHEMBL3445392 0.99 PPARG (0.42) PPARGADRB2ADRB1LMNAHTR2B
SCHEMBL3444432 0.96 CYP1A2 (0.44) ADRB2ADRB1LMNAHTR2BCYP1A2
SCHEMBL4364851 0.92 ALDH1A1 (0.41) ADRB2ADRB1LMNAHTR2BCYP1A2
SCHEMBL924662 0.87 CYP1A2 (0.50) PPARGLMNAHTR2BCYP1A2KMT2A
SCHEMBL3445608 0.86 PPARG (0.41) PPARGADRB2ADRB1LMNAHTR2B
Diethylamine SCHEMBL3445533 0.85 CYP1A2 (0.44) PPARGADRB2LMNAHTR2BCYP1A2
Dimethylamine SCHEMBL3445651 0.85 CYP1A2 (0.46) PPARGLMNAHTR2BCYP1A2KMT2A
SCHEMBL7540395 0.85 KMT2A (0.51) PPARGLMNAHTR2BCYP1A2KMT2A
SCHEMBL7535277 0.85 KMT2A (0.51) PPARGLMNAHTR2BCYP1A2KMT2A
SCHEMBL5562266 0.85 KMT2A (0.51) PPARGLMNAHTR2BCYP1A2KMT2A

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