SCHEMBL8882009

SCHEMBL8882009

C[N+](CCO)(CCO)CC(O)COP(=O)([O-])O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
PSMD14 O00487 2/20 0.45
PLA2G1B P04054 2/20 0.45
MMP2 P08253 2/20 0.45
ATG4B Q9Y4P1 2/20 0.45
RAD52 P43351 1/20 0.45
HSP90AA1 P07900 1/20 0.32
LPAR5 Q9H1C0 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
SCHEMBL8884338 0.87 SMN1; SMN2 (0.45) SMN1; SMN2PSMD14PLA2G1BMMP2ATG4B
SCHEMBL8882006 0.86 PSMD14 (0.47) SMN1; SMN2PSMD14PLA2G1BMMP2ATG4B
SCHEMBL6236753 0.82 SMN1; SMN2 (0.49) SMN1; SMN2LPAR5
Choline SCHEMBL6017026 0.82 SMN1; SMN2 (0.63) SMN1; SMN2
SCHEMBL8884335 0.72 PSMD14 (0.47) SMN1; SMN2PSMD14PLA2G1BMMP2ATG4B
SCHEMBL29416871 0.72 SMN1; SMN2 (0.50) SMN1; SMN2LPAR5
Silver SCHEMBL28897421 0.72 SMN1; SMN2 (0.50) SMN1; SMN2LPAR5
SCHEMBL27446597 0.72 SMN1; SMN2 (0.50) SMN1; SMN2LPAR5
Phosphoric Acid SCHEMBL5046990 0.71 SLC34A1 (0.40) SMN1; SMN2PSMD14PLA2G1BMMP2ATG4B
SCHEMBL8884673 0.71 SMN1; SMN2 (0.66) SMN1; SMN2PSMD14PLA2G1BMMP2ATG4B

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-0514588-B1 Novel phosphobetaine and detergent and cosmetic containing the same KAO CORP (JP) 1997-06-11 EP disclosed
US-5409705-A Phosphobetaine and detergent and cosmetic containing the same KAO CORPORATION (JP) 1995-04-25 US disclosed
EP-0514588-A2 Novel phosphobetaine and detergent and cosmetic containing the same Kao Corporation (JP) 1991-11-25 EP disclosed