SCHEMBL3444152

SCHEMBL3444152

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.40
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
CHRNA7 P36544 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
POLB P06746 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
SCHEMBL3444840 0.93 TLR4 (0.51) TLR4TLR2KMT2ANPSR1ACACB
SCHEMBL4359017 0.92 TSHR (0.48) TLR4TLR2KMT2ATSHRNR1H4
SCHEMBL3445340 0.91 TSHR (0.50) TLR4TLR2TSHR
SCHEMBL412110 0.89 KMT2A (0.50) TLR4TLR2KMT2ANPSR1TDP1
SCHEMBL3444786 0.89 KMT2A (0.43) ADRB2ADRB1ADRB3TLR4TLR2
Dimethylamine SCHEMBL4375978 0.88 TLR4 (0.47) ADRB2ADRB1ADRB3TLR4TLR2
SCHEMBL3445060 0.88 ADRB2 (0.46) ADRB2ADRB1ADRB3TLR4TLR2
SCHEMBL4376033 0.86 ADRB2 (0.42) ADRB2ADRB1ADRB3TLR4TLR2
Diethylamine SCHEMBL3454324 0.85 TLR4 (0.45) TLR4TLR2KMT2ANPSR1TDP1
SCHEMBL3446528 0.83 TLR4 (0.43) ADRB2ADRB1ADRB3TLR4TLR2

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