SCHEMBL4804148

SCHEMBL4804148

C=CCOC[C@H](O)COP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
AKT1 P31749 2/20 0.46
LMNA P02545 2/20 0.46
PRKD3 O94806 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCI P41743 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCZ Q05513 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKD1 Q15139 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
GMNN O75496 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL878627 0.85 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2AAKT1LMNA
SCHEMBL5720514 0.84 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2AAKT1LMNA
SCHEMBL31577380 0.84 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2AAKT1LMNA
SCHEMBL8874191 0.83 MAPK1 (0.54) SMN1; SMN2MEN1KMT2AAKT1LMNA
SCHEMBL243890 0.82 ADRA1D (0.69) SMN1; SMN2MEN1KMT2AAKT1LMNA
SCHEMBL1127893 0.82 ADRA1D (0.69) SMN1; SMN2MEN1KMT2AAKT1LMNA
SCHEMBL1856364 0.82 LMNA (0.51) SMN1; SMN2MEN1KMT2AAKT1LMNA
SCHEMBL2522867 0.81 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AAKT1LMNA
SCHEMBL170993 0.80 LMNA (0.56) SMN1; SMN2MEN1KMT2AAKT1LMNA
SCHEMBL11135866 0.79 AKT1 (0.73) SMN1; SMN2MEN1KMT2AAKT1LMNA

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
WO-2008076377-A2 GENES ENCODING A NOVEL TYPE OF LYSOPHOPHATIDYLCHOLINE ACYLTRANSFERASES AND THEIR USE TO INCREASE TRIACYLGLYCEROL PRODUCTION AND/OR MODIFY FATTY ACID COMPOSITION NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2008-06-26 WO disclosed