SCHEMBL3445002

SCHEMBL3445002

C=Cc1ccccc1OCCC.CCCNCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.42
ADRB2 P07550 3/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 1/20 0.38
ABCB1 P08183 4/20 0.37
LMNA P02545 2/20 0.37
CYP2D6 P10635 2/20 0.37
KCNK3 O14649 1/20 0.37
SLC22A1 O15245 1/20 0.37
ABCC9 O60706 1/20 0.37

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
SCHEMBL4364851 0.93 ALDH1A1 (0.41) ADRB2ALDH1A1KDM4EADRB1ADRB3
SCHEMBL3444432 0.86 CYP1A2 (0.44) ADRB2ALDH1A1KDM4EADRB1ADRB3
SCHEMBL3445443 0.85 PPARG (0.40) ADRB2ALDH1A1KDM4EADRB1ADRB3
SCHEMBL3445392 0.84 PPARG (0.42) ADRB2ALDH1A1KDM4EADRB1ADRB3
SCHEMBL3445326 0.83 HTR1B (0.47) HTR1BALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL3445347 0.83 HTR1B (0.47) HTR1BADRB2ALDH1A1KDM4EADRB1
SCHEMBL2098846 0.82 HPGD (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3445220 0.81 ADRB2 (0.42) HTR1BADRB2ALDH1A1ADRB1ADRB3
SCHEMBL3444395 0.81 KDM4E (0.48) HTR1BADRB2ALDH1A1KDM4EADRB1
Diethylamine SCHEMBL3445008 0.81 ALDH1A1 (0.46) HTR1BADRB2ALDH1A1KDM4EADRB1

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