SCHEMBL27282999

SCHEMBL27282999

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
SLC22A16 Q86VW1 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
HRH1 P35367 1/20 0.32
LMNA P02545 1/20 0.32
PTPN1 P18031 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
SMPD1 P17405 3/20 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
SCHEMBL1370014 0.86 SMN1; SMN2 (0.42) SMN1; SMN2SLC22A16MAPTMEN1KMT2A
SCHEMBL10606120 0.83 SMN1; SMN2 (0.42) SMN1; SMN2SLC22A16MAPTMEN1KMT2A
SCHEMBL10604508 0.83 SMN1; SMN2 (0.42) SMN1; SMN2SLC22A16MAPTMEN1KMT2A
SCHEMBL10602657 0.83 SMN1; SMN2 (0.42) SMN1; SMN2SLC22A16MAPTMEN1KMT2A
Zinc Ion SCHEMBL10604220 0.83 SMN1; SMN2 (0.42) SMN1; SMN2SLC22A16MAPTMEN1KMT2A
SCHEMBL906190 0.77 SMPD1 (0.37) SMN1; SMN2MAPTMEN1KMT2ACYP1A2
SCHEMBL27773794 0.76 GABBR2 (0.36) LMNA
SCHEMBL8861292 0.76 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL17143222 0.76 LMNA (0.38) SMN1; SMN2MAPTMEN1KMT2ACYP1A2
Glycerin SCHEMBL8890733 0.74 SMN1; SMN2 (0.50) SMN1; SMN2SLC22A16

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1014791-B PROCESS FOR THE PREPARATION OF PHOSPHATIDYLCHOLINES AND PHOSPHATIDYLETHANOLAMINES, EACH OF WHICH CARRIES DIRRERENT SUBSTITUENTS CHEMIE LINZ AG (DE) 1991-11-20 CN disclosed
CN-85104463-A Produce the method for the phosphatldylcholine and the phosphatidyl ethanolamine that respectively carry different substituents 1986-12-10 CN disclosed