SCHEMBL10606124

SCHEMBL10606124

C[N+](C)(C)CCO[PH](=O)CC(O)CO.[Al+3]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
CHRM1 P11229 8/20 0.33
CHRM3 P20309 8/20 0.33
CHRM2 P08172 7/20 0.33
CHRM4 P08173 7/20 0.33
CHRM5 P08912 6/20 0.33
CHRNB2 P17787 4/20 0.33
CHRNA4 P43681 4/20 0.33
CHRNA7 P36544 3/20 0.33
GALR3 O60755 2/20 0.33
HTR1A P08908 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
PGR P06401 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33
CYP2C19 P33261 2/20 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
SCHEMBL1370015 0.98 SMN1; SMN2 (0.44) SMN1; SMN2CHRM1CHRM3CHRM2CHRM4
Zinc Ion SCHEMBL10604225 0.97 SMN1; SMN2 (0.43) SMN1; SMN2CHRM1CHRM3CHRM2CHRM4
SCHEMBL10602664 0.97 SMN1; SMN2 (0.43) SMN1; SMN2CHRM1CHRM3CHRM2CHRM4
SCHEMBL10604517 0.97 SMN1; SMN2 (0.43) SMN1; SMN2CHRM1CHRM3CHRM2CHRM4
Propylene Glycol SCHEMBL8861293 0.95 SMN1; SMN2 (0.42) SMN1; SMN2CHRM1CHRM3CHRM2CHRM4
SCHEMBL5357432 0.87 SMN1; SMN2 (0.37) SMN1; SMN2CHRM1CHRM3CHRM2CHRM4
SCHEMBL159440 0.76 SMN1; SMN2 (0.50) SMN1; SMN2CHRM1CHRM3CHRM2CHRM4
SCHEMBL26661989 0.76 SMN1; SMN2 (0.50) SMN1; SMN2CHRM1CHRM3CHRM2CHRM4
SCHEMBL28229216 0.76 SMN1; SMN2 (0.50) SMN1; SMN2CHRM1CHRM3CHRM2CHRM4
Iodide SCHEMBL10581935 0.75 SMN1; SMN2 (0.49) SMN1; SMN2CHRM1CHRM3CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186803-B1 DIACYLDERIVATIVES OF GLYCERYLPHOSPHORYLCHOLINE HAVING THERAPEUTICAL ACTIVITY, A PROCESS FOR THEIR PREPARATION AND RELATED PHARMACEUTICAL COMPOSITIONS NEOPHARMED S.p.A. (IT) 1989-09-20 EP claimed
US-4699901-A Diacyl derivatives of glycerylphosphorylcholine, their preparation, and antihyperlipidemic compositions NEOPHARMED SPA (IT) 1987-10-13 US claimed
EP-0186803-A2 Diacylderivatives of glycerylphosphorylcholine having therapeutical activity, a process for their preparation and related pharmaceutical compositions NEOPHARMED S.p.A. (IT) 1986-07-09 EP claimed