SCHEMBL28039652

SCHEMBL28039652

C=C(C)C(=O)P(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.45
CHRM1 P11229 6/20 0.45
CHRM3 P20309 6/20 0.45
CHRM2 P08172 5/20 0.45
CHRM4 P08173 5/20 0.45
CHRNB2 P17787 4/20 0.45
CHRNA4 P43681 4/20 0.45
CHRNA7 P36544 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTR1A P08908 2/20 0.45
PGR P06401 1/20 0.45
TBXA2R P21731 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA10 Q9GZZ6 1/20 0.45
CHRNA9 Q9UGM1 1/20 0.45
GALR3 O60755 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
ADRA1A P35348 2/20 0.41

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
Phosphocholine SCHEMBL1802772 0.81 CHRM5 (0.42) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL27592956 0.81 CHRM5 (0.39) CHRM5CHRM1CHRM3CHRM2CHRM4
Phosphocholine SCHEMBL19386099 0.80 CHRM5 (0.44) CHRM5CHRM1CHRM3CHRM2CHRM4
Phosphocholine SCHEMBL27766488 0.80 CHRM5 (0.41) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL27525310 0.80 BTN3A1 (0.36) TSHR
Phosphocholine SCHEMBL2456735 0.79 SMN1; SMN2 (0.42) CHRM5CHRM1CHRM3CHRM2CHRM4
Phosphocholine SCHEMBL2456733 0.79 CHRM5 (0.40) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL819118 0.79 CHRM5 (0.40) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL27917180 0.78 BTN3A1 (0.35)
Phosphocholine SCHEMBL19386100 0.78 CHRM5 (0.42) CHRM5CHRM1CHRM3CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109312383-B In situ chemical stack for continuous glucose sensor 美敦力泌力美公司 2022-05-27 CN claimed
CN-105209033-A Methods of inhibiting cataracts and presbyopia UNIV MASSACHUSETTS 2015-12-30 CN claimed
CN-109312383-B In situ chemical stack for continuous glucose sensor 美敦力泌力美公司 2022-05-27 CN disclosed
CN-113967264-A Macromolecule prodrug nano-carrier for treating atherosclerosis and preparation method thereof 浙江大学 2022-01-25 CN disclosed
CN-1589772-A Cosmetics HARADA CORP (JP) 2005-03-09 CN disclosed