SCHEMBL3445220

SCHEMBL3445220

C=Cc1ccccc1OCCC.CC(C)NC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.42
ADRB1 P08588 7/20 0.42
ADRB3 P13945 2/20 0.42
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 2/20 0.39
HTR1A P08908 2/20 0.39
SLC6A4 P31645 2/20 0.39
ADRA1A P35348 2/20 0.39
SLC22A1 O15245 1/20 0.39
HTR2A P28223 1/20 0.39
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
NLRP1 Q9C000 1/20 0.38

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
SCHEMBL3445148 0.92 CYP1A2 (0.46) ADRB2ADRB1ALDH1A1HTTHPGD
SCHEMBL3445608 0.91 PPARG (0.41) ADRB2ADRB1ADRB3SMN1; SMN2MEN1
SCHEMBL3444029 0.90 KMT2A (0.43) ADRB2ADRB1ADRB3ALDH1A1HTT
SCHEMBL2098846 0.88 HPGD (0.48) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL3444115 0.88 KDM4E (0.39) ADRB2ADRB1ADRB3ALDH1A1HTT
Dimethylamine SCHEMBL4364526 0.87 ALDH1A1 (0.44) ADRB2ADRB1ADRB3ALDH1A1HTT
SCHEMBL3445347 0.87 HTR1B (0.47) ADRB2ADRB1ADRB3ALDH1A1LMNA
SCHEMBL4364851 0.85 ALDH1A1 (0.41) ADRB2ADRB1ADRB3ALDH1A1HTT
Diethylamine SCHEMBL3445008 0.84 ALDH1A1 (0.46) ADRB2ADRB1ALDH1A1HTTHPGD
SCHEMBL3444395 0.81 KDM4E (0.48) ADRB2ADRB1ADRB3ALDH1A1HTT

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 2 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
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