SCHEMBL13619233

SCHEMBL13619233

C[N+](C)(C)CCOP(=O)(O)OC/C=C/C=C/COP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ADRA1A P35348 2/20 0.37
LMNA P02545 2/20 0.37
ESR1 P03372 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CDC25A P30304 1/20 0.37
AGTR1 P30556 1/20 0.37
AKT1 P31749 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHRM5 P08912 6/20 0.34
CHRM1 P11229 6/20 0.34
CHRM3 P20309 6/20 0.34
CHRM2 P08172 5/20 0.34
CHRM4 P08173 5/20 0.34
CHRNB2 P17787 4/20 0.34
CHRNA4 P43681 4/20 0.34
CHRNA7 P36544 3/20 0.34
BBOX1 O75936 2/20 0.34
HTR1A P08908 2/20 0.34

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
SCHEMBL8598240 0.86 FABP3 (0.37) FABP3SMN1; SMN2ADRA1ALMNAESR1
SCHEMBL25857265 0.84 SMN1; SMN2 (0.46) FABP3SMN1; SMN2ADRA1ALMNAESR1
SCHEMBL100728 0.84 FABP3 (0.39) FABP3SMN1; SMN2ADRA1ALMNAESR1
SCHEMBL65991 0.82 FABP3 (0.39) FABP3SMN1; SMN2ADRA1ALMNAESR1
SCHEMBL13745842 0.79 FABP3 (0.43) FABP3SMN1; SMN2ADRA1ALMNAESR1
SCHEMBL14257803 0.78 CHRNA7 (0.47) CHRM1CHRM3CHRM2CHRM4CHRNA7
SCHEMBL16638189 0.77 SMN1; SMN2 (0.49) FABP3SMN1; SMN2ADRA1ALMNAESR1
SCHEMBL13619237 0.77 LMNA (0.58) FABP3SMN1; SMN2ADRA1ALMNAESR1
SCHEMBL13123029 0.77 SMN1; SMN2 (0.45) FABP3SMN1; SMN2ADRA1ALMNAESR1
SCHEMBL1692413 0.77 LMNA (0.49) FABP3SMN1; SMN2ADRA1ALMNAESR1

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-7615543-B2 Complexes with C-reactive protein (CRP) molecules; rheumatoid arthritis, juvenile chronic (rheumatoid) arthritis, ankylosing spondylitis, psoriatic arthritis, systemic vasculitis, polymyalgia rheumatica, Reiter's disease, Crohn's disease and familial Mediterranean fever PENTRAXIN THERAPEUTICS LIMITED (GB) 2009-11-10 US disclosed