SCHEMBL5357432

SCHEMBL5357432

C1COCO1.C[N+](C)(C)CCO[PH](=O)CC(O)CO

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
TSHR P16473 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
CYP2C19 P33261 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30

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 0.88 SMN1; SMN2 (0.44) SMN1; SMN2LMNACHRM2CHRM4HTR1A
Zinc Ion SCHEMBL10604225 0.87 SMN1; SMN2 (0.43) SMN1; SMN2LMNACHRM2CHRM4HTR1A
SCHEMBL10602664 0.87 SMN1; SMN2 (0.43) SMN1; SMN2LMNACHRM2CHRM4HTR1A
SCHEMBL10606124 0.87 SMN1; SMN2 (0.43) SMN1; SMN2LMNACHRM2CHRM4HTR1A
SCHEMBL10604517 0.87 SMN1; SMN2 (0.43) SMN1; SMN2LMNACHRM2CHRM4HTR1A
Propylene Glycol SCHEMBL8861293 0.85 SMN1; SMN2 (0.42) SMN1; SMN2LMNACHRM2CHRM4HTR1A
SCHEMBL159440 0.68 SMN1; SMN2 (0.50) SMN1; SMN2LMNACHRM2CHRM4HTR1A
SCHEMBL28229216 0.68 SMN1; SMN2 (0.50) SMN1; SMN2LMNACHRM2CHRM4HTR1A
SCHEMBL26661989 0.68 SMN1; SMN2 (0.50) SMN1; SMN2LMNACHRM2CHRM4HTR1A
Iodide SCHEMBL10581935 0.67 SMN1; SMN2 (0.49) SMN1; SMN2LMNACHRM2CHRM4HTR1A

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
JP-2007269657-A METHOD FOR PRODUCING α-GLYCEROPHOSPHORYLCHOLINE CRYSTAL NOF CORP 2007-10-18 JP disclosed