SCHEMBL3445733

SCHEMBL3445733

C=Cc1cccc(OCCC)c1.CCCCNCCC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
DRD2 P14416 5/20 0.44
DRD4 P21917 5/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
DRD3 P35462 3/20 0.43
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 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
SCHEMBL412110 0.86 KMT2A (0.50) KMT2ATLR4TLR2KDM4EALDH1A1
Diethylamine SCHEMBL3454324 0.85 TLR4 (0.45) KMT2ACYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL3446157 0.85 KDM4E (0.40) KMT2ACYP1A2CYP2D6MAPK1CYP2C19
Dimethylamine SCHEMBL4375978 0.84 TLR4 (0.47) KMT2ATLR4TLR2KDM4EALDH1A1
SCHEMBL412094 0.84 TLR4 (0.60) KMT2ACYP1A2CYP2C19TLR4TLR2
SCHEMBL3444403 0.83 CHRNB2 (0.50) KMT2ADRD2DRD4ALDH1A1DRD3
Diethylamine SCHEMBL4365285 0.83 TLR4 (0.53) KMT2ACYP1A2CYP2D6MAPK1CYP2C19
Dimethylamine SCHEMBL3445676 0.83 TLR4 (0.56) KMT2ACYP1A2CYP2C19TLR4TLR2
SCHEMBL2623207 0.83 TSHR (0.57) KMT2ATLR4TLR2TSHR
Diethylamine SCHEMBL3444913 0.82 TSHR (0.50) KMT2ACYP1A2CYP2D6MAPK1CYP2C19

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