SCHEMBL2546652

SCHEMBL2546652

C=C(C)C(=O)OCCN(C)C.CC(=O)OC1=CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
CHRNA4 P43681 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRNB2 P17787 1/20 0.36
TSHR P16473 3/20 0.36
BCHE P06276 1/20 0.35
PHLPP2 Q6ZVD8 1/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 2/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
ADRA2B P18089 1/20 0.34

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
SCHEMBL7595563 0.95 ALDH1A1 (0.37) THRBCHRNA4CHRM2CHRM1CHRM3
SCHEMBL8934373 0.85 THRB (0.39) THRBTSHRPOLBAPEX1HTT
SCHEMBL7595566 0.80 TSHR (0.63) THRBTSHRPOLBAPEX1HTT
SCHEMBL28671752 0.79 CHRM2 (0.54) THRBCHRNA4CHRM2CHRM1CHRM3
SCHEMBL14984 0.79 CHRM2 (0.54) THRBCHRNA4CHRM2CHRM1CHRM3
SCHEMBL9421697 0.78 CYP3A4 (0.34) THRBTSHRPOLBAPEX1HTT
Benzene SCHEMBL28182923 0.77 THRB (0.48) THRBCHRNA4CHRM2CHRM1CHRM3
Ammonia Solution, Strong SCHEMBL8139148 0.77 CHRM2 (0.52) THRBCHRNA4CHRM2CHRM1CHRM3
SCHEMBL11650326 0.77 CHRM2 (0.52) THRBCHRNA4CHRM2CHRM1CHRM3
Methyl Alcohol SCHEMBL21326731 0.77 CHRM2 (0.52) THRBCHRNA4CHRM2CHRM1CHRM3

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-8790426-B2 Quaternized terpolymer BASF SE (DE) 2014-07-29 US disclosed
US-20110258917-A1 QUATERNIZED TERPOLYMER BASF SE (DE) 2011-10-27 US disclosed