SCHEMBL13619257

SCHEMBL13619257

C[C@H](CCCC[C@H](C)OP(=O)(O)OCC[N+](C)(C)C)OP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.38
AKT1 P31749 2/20 0.38
ESR1 P03372 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CDC25A P30304 1/20 0.38
AGTR1 P30556 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
BBOX1 O75936 2/20 0.36
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 1/20 0.34
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCE Q02156 1/20 0.33

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
SCHEMBL14447836 0.93 LMNA (0.50) FABP3SMN1; SMN2LMNAAKT1ESR1
SCHEMBL28017667 0.93 LMNA (0.50) FABP3SMN1; SMN2LMNAAKT1ESR1
SCHEMBL12795706 0.82 SMN1; SMN2 (0.42) FABP3SMN1; SMN2LMNAAKT1ESR1
Water SCHEMBL8910642 0.81 SMN1; SMN2 (0.45) FABP3SMN1; SMN2LMNAAKT1ESR1
SCHEMBL2694156 0.79 FABP3 (0.39) FABP3SMN1; SMN2LMNAAKT1ESR1
SCHEMBL14447854 0.79 LMNA (0.47) FABP3SMN1; SMN2LMNAAKT1ESR1
SCHEMBL4657726 0.78 FABP3 (0.53) FABP3SMN1; SMN2LMNAAKT1ESR1
SCHEMBL18971340 0.78 FABP3 (0.53) FABP3SMN1; SMN2LMNAAKT1ESR1
SCHEMBL10337116 0.78 SMN1; SMN2 (0.43) FABP3SMN1; SMN2LMNAAKT1ESR1
SCHEMBL25857265 0.78 SMN1; SMN2 (0.46) FABP3SMN1; SMN2LMNAAKT1ESR1

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