SCHEMBL9060915

SCHEMBL9060915

C[N+](C)(C)CCOS(=O)(=O)OCC(O)CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
CHRM5 P08912 6/20 0.33
CHRM1 P11229 6/20 0.33
CHRM3 P20309 6/20 0.33
CHRM2 P08172 5/20 0.33
CHRM4 P08173 5/20 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
USP2 O75604 1/20 0.33

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
Choline SCHEMBL27827602 0.88 SMN1; SMN2 (0.47) SMN1; SMN2USP2LMNA
SCHEMBL6663669 0.81 LMNA (0.40) SMN1; SMN2USP2LMNA
SCHEMBL27785265 0.79 LMNA (0.38) SMN1; SMN2USP2LMNA
SCHEMBL28031252 0.79 CHRM5 (0.42) SMN1; SMN2CHRM5CHRM1CHRM3CHRM2
Glycerin SCHEMBL9060924 0.79 SMN1; SMN2 (0.45) SMN1; SMN2CHRM5CHRM1CHRM3CHRM2
SCHEMBL4657281 0.76 USP2 (0.56) USP2LMNABLMTSHRMAPK1
SCHEMBL9411704 0.76 USP2 (0.37) SMN1; SMN2USP2LMNA
SCHEMBL8099159 0.75 USP2 (0.59) USP2LMNABLMTSHRMAPK1
SCHEMBL4103317 0.75 USP2 (0.59) USP2LMNABLMTSHRMAPK1
SCHEMBL28475498 0.74 SMN1; SMN2 (0.54) SMN1; SMN2CHRM5CHRM1CHRM3CHRM2

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
EP-0727491-A1 Enzymatic synthesis of soluble phosphatides from phospholipids THE LIPOSOME COMPANY, INC. (US) 1996-08-21 EP claimed