SCHEMBL28128461

SCHEMBL28128461

C=CC(=O)OC(C)CC(C[N+](C)(C)C)OP(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
TBXA2R P21731 1/20 0.36
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
CYP2C9 P11712 1/20 0.35
GALR3 O60755 1/20 0.35
BLM P54132 1/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
HRH1 P35367 1/20 0.32
CYP2C19 P33261 1/20 0.31
RECQL P46063 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
SCHEMBL17076293 0.89 TSHR (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL541438 0.81 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28012920 0.81 TSHR (0.39) TSHR
SCHEMBL28128487 0.80 SMPD1 (0.40) TSHRLMNAMAPTCYP2C9BLM
SCHEMBL28128877 0.79 SMPD1 (0.43) TSHRLMNAMAPTCYP2C9BLM
SCHEMBL28151162 0.78 SMPD1 (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2946080 0.77 TSHR (0.59) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7060705 0.76 TSHR (0.39) TSHRSMN1; SMN2
Bromide SCHEMBL28073958 0.75 TSHR (0.57) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL1238012 0.75 MAPT (0.60) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104119479-B Biomimetic amphiphilic graft copolymer with cell membrane structure and preparation method thereof 四川大学 2017-01-18 CN disclosed