SCHEMBL8884673

SCHEMBL8884673

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.66
PLA2G1B P04054 3/20 0.43
PSMD14 O00487 2/20 0.43
MMP2 P08253 2/20 0.43
ATG4B Q9Y4P1 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
S1PR1 P21453 1/20 0.32
AKT1 P31749 2/20 0.32
LMNA P02545 2/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCZ Q05513 1/20 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
SCHEMBL8883041 0.88 SMN1; SMN2 (0.52) SMN1; SMN2PLA2G1BPSMD14MMP2ATG4B
SCHEMBL8884109 0.85 SMN1; SMN2 (0.59) SMN1; SMN2PLA2G1BPSMD14MMP2ATG4B
SCHEMBL8882381 0.84 SMN1; SMN2 (0.58) SMN1; SMN2PLA2G1BPSMD14MMP2ATG4B
SCHEMBL8884338 0.84 SMN1; SMN2 (0.45) SMN1; SMN2PLA2G1BPSMD14MMP2ATG4B
SCHEMBL8884335 0.80 PSMD14 (0.47) SMN1; SMN2PLA2G1BPSMD14MMP2ATG4B
SCHEMBL245306 0.79 SMN1; SMN2 (1.00) SMN1; SMN2PLA2G1BMEN1KMT2AS1PR1
SCHEMBL272506 0.79 SMN1; SMN2 (1.00) SMN1; SMN2PLA2G1BMEN1KMT2AS1PR1
SCHEMBL63754 0.79 SMN1; SMN2 (1.00) SMN1; SMN2PLA2G1BMEN1KMT2AS1PR1
SCHEMBL17513027 0.79 SMN1; SMN2 (0.66) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
Hydrogen Peroxide SCHEMBL15769657 0.78 SMN1; SMN2 (0.97) SMN1; SMN2PLA2G1BMEN1KMT2AS1PR1

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