SCHEMBL3516495

SCHEMBL3516495

C=C(C)C(=O)OC(C[N+](C)(C)C)OP(=O)([O-])OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.33
PTAFR P25105 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD3 P35462 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
TSHR P16473 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
GALR3 O60755 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL28108844 0.86 TSHR (0.33) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28151164 0.80 TSHR (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL15393235 0.77 AKT1 (0.44) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL428693 0.76 SMN1; SMN2 (0.52) ADRA1DPTAFRHTR1DHTR2CADRA1B
Hydrochloric Acid SCHEMBL27784122 0.76 MAPT (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6028707 0.74 THRB (0.35) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL27898159 0.73 THRB (0.34) TSHRTHRB
SCHEMBL2809651 0.72 TSHR (0.33) ADRA1DPTAFRHTR1DHTR2CADRA1B
Ethylene SCHEMBL28870955 0.71 THRB (0.33) TSHRTHRB
SCHEMBL529986 0.71 SMN1; SMN2 (0.46) ADRA1DPTAFRHTR1DHTR2CADRA1B

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-2160946-A1 Process for the preparation of an antimicrobial article Polymers CRC Limited (AU) 2010-03-10 EP disclosed
EP-2160945-A1 Antimicrobial Article Polymers CRC Limited (AU) 2010-03-10 EP disclosed