SCHEMBL7935832

SCHEMBL7935832

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.69
ADRA1D P25100 1/20 0.53
PTAFR P25105 1/20 0.53
HTR1D P28221 1/20 0.53
HTR2C P28335 1/20 0.53
ADRA1B P35368 1/20 0.53
DRD3 P35462 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
MAPT P10636 1/20 0.52
NR5A2 O00482 1/20 0.48
NR5A1 Q13285 1/20 0.48
LMNA P02545 2/20 0.47
AKT1 P31749 2/20 0.47
ESR1 P03372 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CDC25A P30304 1/20 0.47
AGTR1 P30556 1/20 0.47
ADRA1A P35348 1/20 0.47
KCNH2 Q12809 1/20 0.47
PRKD3 O94806 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
SCHEMBL19821626 1.00 SMN1; SMN2 (0.69) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL20067439 0.86 SMN1; SMN2 (0.66) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL25609526 0.86 SMN1; SMN2 (0.66) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL3677776 0.84 SMN1; SMN2 (0.48) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL13854471 0.84 SMN1; SMN2 (0.48) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL2927973 0.84 SMN1; SMN2 (0.63) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL20067445 0.84 SMN1; SMN2 (0.63) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL19821628 0.83 MAPT (0.71) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL30278565 0.83 MAPT (0.71) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL245306 0.82 SMN1; SMN2 (1.00) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C

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-2001021009-A2 STANDARDIZED FUNCTIONAL FOOD PRODUCTS CURRIER STEPHEN J (US) 2001-03-29 WO disclosed