SCHEMBL8568334

SCHEMBL8568334

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
ADRA1D P25100 1/20 0.51
PTAFR P25105 1/20 0.51
HTR1D P28221 1/20 0.51
HTR2C P28335 1/20 0.51
ADRA1B P35368 1/20 0.51
DRD3 P35462 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
LMNA P02545 2/20 0.48
AKT1 P31749 2/20 0.48
ESR1 P03372 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CDC25A P30304 1/20 0.48
AGTR1 P30556 1/20 0.48
ADRA1A P35348 1/20 0.48
KCNH2 Q12809 1/20 0.48
MAPT P10636 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PRKD3 O94806 1/20 0.47

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
SCHEMBL28965396 0.81 SMN1; SMN2 (0.73) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL9710185 0.79 SMN1; SMN2 (0.61) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL18210636 0.79 SMN1; SMN2 (0.61) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL17962981 0.79 SMN1; SMN2 (0.61) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL19821626 0.78 SMN1; SMN2 (0.69) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL7935832 0.78 SMN1; SMN2 (0.69) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL245306 0.77 SMN1; SMN2 (1.00) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL63754 0.77 SMN1; SMN2 (1.00) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL272506 0.77 SMN1; SMN2 (1.00) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL19821623 0.76 SMN1; SMN2 (0.66) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770064-A4 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS CYTOMED INC (US) 1998-01-14 EP disclosed
EP-0770064-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1997-05-02 EP disclosed
WO-1996000212-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1996-01-04 WO disclosed
WO-1993011136-A1 NEW PYRROLIDINE DERIVATIVES JIN RO LIMITED (KR) 1993-06-10 WO disclosed