SCHEMBL30536698

SCHEMBL30536698

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM5 P08912 4/20 0.32
CHRM1 P11229 4/20 0.32
CHRM3 P20309 4/20 0.32
CHRM2 P08172 3/20 0.32
CHRM4 P08173 3/20 0.32
ADRA1A P35348 2/20 0.32
HTR1A P08908 2/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA7 P36544 2/20 0.32
CHRNA4 P43681 2/20 0.32
ADRA2A P08913 1/20 0.32
PGR P06401 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32

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
SCHEMBL30643927 0.84 ADRA1A (0.36) SMN1; SMN2TSHRCYP2C19L3MBTL1CHRM5
SCHEMBL29028281 0.81 ADRA1A (0.38) SMN1; SMN2TSHRCYP2C19L3MBTL1CHRM5
SCHEMBL13101840 0.77 FABP3 (0.37) SMN1; SMN2TSHRCYP2C19L3MBTL1CHRM5
SCHEMBL27496677 0.77 AKT1 (0.47) SMN1; SMN2TSHRADRA1ALMNAESR1
Ethylene Glycol SCHEMBL27632905 0.74 TSHR (0.37) SMN1; SMN2TSHRCYP2C19L3MBTL1CHRM5
SCHEMBL28126982 0.73 SMN1; SMN2 (0.34) SMN1; SMN2TSHRCYP2C19CHRM5CHRM1
Ethylene Glycol SCHEMBL2050406 0.72 SMN1; SMN2 (0.48) SMN1; SMN2TSHRADRA1ALMNAESR1
SCHEMBL28304656 0.72 LMNA (0.44) TSHRADRA1ALMNAESR1ADORA3
SCHEMBL27934068 0.71 LMNA (0.47) SMN1; SMN2TSHRADRA1ALMNAESR1
SCHEMBL28304734 0.71 LMNA (0.40) TSHRADRA1ALMNAESR1ADORA3

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
CN-116621872-A Acryloxy (2-hydroxypropyl) phosphorylcholine and binary polymer thereof, preparation method and application 广东工业大学 2023-08-22 CN claimed
CN-116621872-A Acryloxy (2-hydroxypropyl) phosphorylcholine and binary polymer thereof, preparation method and application 广东工业大学 2023-08-22 CN disclosed
CN-116621872-A Acryloxy (2-hydroxypropyl) phosphorylcholine and binary polymer thereof, preparation method and application 广东工业大学 2023-08-22 CN disclosed
CN-116621872-A Acryloxy (2-hydroxypropyl) phosphorylcholine and binary polymer thereof, preparation method and application 广东工业大学 2023-08-22 CN disclosed