SCHEMBL6904233

SCHEMBL6904233

C[N+](C)(C)CCOP(=O)([O-])OC[C@H](CO)OO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
LMNA P02545 4/20 0.54
MAPK1 P28482 4/20 0.54
MEN1 O00255 3/20 0.54
GMNN O75496 3/20 0.54
BLM P54132 3/20 0.54
KMT2A Q03164 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
AKT1 P31749 2/20 0.54
PRKD3 O94806 1/20 0.54
PRKCG P05129 1/20 0.54
PRKCB P05771 1/20 0.54
PRKCA P17252 1/20 0.54
PRKCH P24723 1/20 0.54
PRKCI P41743 1/20 0.54
PRKCE Q02156 1/20 0.54
PRKCQ Q04759 1/20 0.54
PRKCZ Q05513 1/20 0.54
PRKCD Q05655 1/20 0.54
PRKD1 Q15139 1/20 0.54

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
SCHEMBL17761142 1.00 SMN1; SMN2 (0.68) SMN1; SMN2LMNAMAPK1MEN1GMNN
SCHEMBL29458110 1.00 SMN1; SMN2 (0.68) SMN1; SMN2LMNAMAPK1MEN1GMNN
SCHEMBL8586988 0.87 SMN1; SMN2 (0.67) SMN1; SMN2LMNAMAPK1MEN1GMNN
SCHEMBL29977369 0.84 ADRA1D (0.68) SMN1; SMN2LMNAMAPK1MEN1GMNN
SCHEMBL3828992 0.84 ADRA1D (0.68) SMN1; SMN2LMNAMAPK1MEN1GMNN
SCHEMBL30955383 0.83 FABP3 (0.49) SMN1; SMN2LMNAMAPK1MEN1GMNN
SCHEMBL29395054 0.82 SMN1; SMN2 (0.64) SMN1; SMN2LMNAMAPK1MEN1GMNN
SCHEMBL3405063 0.82 SMN1; SMN2 (0.60) SMN1; SMN2LMNAMAPK1MEN1GMNN
SCHEMBL63754 0.81 SMN1; SMN2 (1.00) SMN1; SMN2LMNAMAPK1MEN1GMNN
SCHEMBL245306 0.81 SMN1; SMN2 (1.00) SMN1; SMN2LMNAMAPK1MEN1GMNN

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
US-20040052837-A1 Lipid conjugated anti-cancer drugs and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-03-18 US disclosed