SCHEMBL28150271

SCHEMBL28150271

C=CC(=O)NOP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.37
CHRM1 P11229 6/20 0.37
CHRM3 P20309 6/20 0.37
CHRM2 P08172 5/20 0.37
CHRM4 P08173 5/20 0.37
CHRNB2 P17787 4/20 0.37
CHRNA4 P43681 4/20 0.37
CHRNA7 P36544 3/20 0.37
LMNA P02545 3/20 0.37
HTR1A P08908 2/20 0.37
CYP2C19 P33261 2/20 0.37
TSHR P16473 1/20 0.37
FABP3 P05413 1/20 0.36
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ADRA1A P35348 2/20 0.34
ADRA2A P08913 1/20 0.34
PGR P06401 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
SCHEMBL28638981 0.84 ZDHHC20 (0.35) TSHRMAPK1MVD
SCHEMBL317090 0.80 TSHR (0.33) TSHRMAPK1
SCHEMBL21522568 0.80 CHRM5 (0.37) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL17370182 0.80 ZDHHC20 (0.39) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL3263241 0.78 SMN1; SMN2 (0.34) CHRM5CHRM1CHRM3CHRM2CHRM4
Choline SCHEMBL28150273 0.78 LMNA (0.36) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL28151163 0.78 CHRM5 (0.37) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL13101840 0.78 FABP3 (0.37) CHRM5CHRM1CHRM3CHRM2CHRM4
Acrylamide SCHEMBL27991709 0.77 FABP3 (0.40) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL9815384 0.76 TSHR (0.41) TSHRMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109529128-B Anti-infection coating and preparation method thereof 中国科学院长春应用化学研究所 2021-12-14 CN claimed
CN-109529128-A A kind of anti-infective coating and preparation method thereof 中国科学院长春应用化学研究所 2019-03-29 CN claimed
CN-106902396-A A kind of method that antimicrobial surface is prepared on medical material surface 华南理工大学 2017-06-30 CN claimed
CN-109529128-A A kind of anti-infective coating and preparation method thereof 中国科学院长春应用化学研究所 2019-03-29 CN disclosed
CN-104710644-B A kind of method that antimicrobial surface is prepared on medical macromolecular materials surface 中国科学院长春应用化学研究所 2017-09-22 CN disclosed
CN-106902396-A A kind of method that antimicrobial surface is prepared on medical material surface 华南理工大学 2017-06-30 CN disclosed