SCHEMBL14841018

SCHEMBL14841018

CC(CC(C)(C)C)CP(=O)(CC(C)CC(C)(C)C)OCC[N+](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.35
AKT1 P31749 2/20 0.35
ESR1 P03372 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CDC25A P30304 1/20 0.35
AGTR1 P30556 1/20 0.35
ADRA1A P35348 1/20 0.35
KCNH2 Q12809 1/20 0.35
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCI P41743 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCZ Q05513 1/20 0.31
PRKCD Q05655 1/20 0.31
PRKD1 Q15139 1/20 0.31

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
SCHEMBL17598958 0.79 SMN1; SMN2 (0.38) SMN1; SMN2LMNAAKT1ESR1ADORA3
SCHEMBL28128353 0.77
SCHEMBL14233604 0.72
SCHEMBL4535983 0.71
SCHEMBL21893376 0.69
Choline SCHEMBL14841017 0.69 MEN1 (0.38) SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2990037 0.67
SCHEMBL19979301 0.67 LMNA (0.57) SMN1; SMN2LMNAAKT1ESR1ADORA3
SCHEMBL3979906 0.67 PPARD (0.42)
SCHEMBL21943993 0.67 LMNA (0.49) SMN1; SMN2LMNAAKT1ESR1ADORA3

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-20130089912-A1 METHODS AND COMPOSITIONS FOR THE STABILIZATION OF BIOLOGIC MATERIAL THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2013-04-11 US disclosed