SCHEMBL4376033

SCHEMBL4376033

C=Cc1cccc(OCCC)c1.CC(C)CNCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.40
ROCK1 Q13464 2/20 0.38
ROCK2 O75116 1/20 0.38
DYRK3 O43781 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
AKT2 P31751 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
IRAK1 P51617 1/20 0.38
PRKX P51817 1/20 0.38
CDK5 Q00535 1/20 0.38
PRKCD Q05655 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
SCHEMBL3446157 0.94 KDM4E (0.40) ADRB2ADRB1ADRB3TLR4TLR2
SCHEMBL3444914 0.93 TLR4 (0.49) TLR4TLR2NPSR1KMT2AACACB
SCHEMBL3444118 0.92 TSHR (0.46) TLR4TLR2NPSR1KMT2ACACNA1B
SCHEMBL3445802 0.91 TSHR (0.48) TLR4TLR2KMT2ACACNA1B
SCHEMBL412110 0.87 KMT2A (0.50) TLR4TLR2NPSR1KMT2AKDM4E
SCHEMBL3444152 0.86 ADRB2 (0.44) ADRB2ADRB1ADRB3TLR4TLR2
Diethylamine SCHEMBL3454324 0.86 TLR4 (0.45) TLR4TLR2NPSR1KMT2AKDM4E
Dimethylamine SCHEMBL4375978 0.86 TLR4 (0.47) ADRB2ADRB1ADRB3TLR4TLR2
SCHEMBL3444786 0.84 KMT2A (0.43) ADRB2ADRB1ADRB3TLR4TLR2
SCHEMBL3446197 0.83 CHRNB2 (0.51) KMT2AACACBACACALMNA

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
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
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