SCHEMBL5313850

SCHEMBL5313850

CCC(N)(CC)CCCNCCCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.50
CA6 P23280 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
CA5B Q9Y2D0 4/20 0.50
CA2 P00918 3/20 0.50
CA4 P22748 3/20 0.50
CA5A P35218 3/20 0.50
CASP2 P42575 2/20 0.50
F13A1 P00488 2/20 0.50
CYP1A2 P05177 2/20 0.50
ALOX15 P16050 2/20 0.50
THPO P40225 2/20 0.50
MEN1 O00255 2/20 0.50
RECQL P46063 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA3 P07451 2/20 0.48

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
SCHEMBL6656748 0.89 TSHR (0.43) CA12CA6CA7CA9CA14
SCHEMBL22667575 0.82 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL6203864 0.81 DNM1 (0.36) MEN1KMT2ATSHR
SCHEMBL4470649 0.79 DNM1 (0.41) CA12CA6CA7CA9CA14
SCHEMBL9178114 0.78 CA12 (0.43) CA12CA6CA7CA9CA14
SCHEMBL9328367 0.78 CA12 (0.43) CA12CA6CA7CA9CA14
SCHEMBL342046 0.77 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL10445927 0.77 DNM1 (0.46) CA12CA6CA7CA9CA14
SCHEMBL7769254 0.77 DNM1 (0.46) CA12CA6CA7CA9CA14
Hydrochloric Acid SCHEMBL9190866 0.76 LMNA (0.45) CA12CA6CA7CA9CA14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785766-A1 HYDROXYPOLYAMINE SALTS University of Florida Research Foundation, Inc. (US) 2014-10-08 EP disclosed
WO-2013081614-A1 HYDROXYPOLYAMINE SALTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-06-06 WO disclosed
EP-1855663-A2 METHODS FOR MODULATING MACROPHAGE PROLIFERATION IN OCULAR DISEASE USING POLYAMINE ANALOGS Pathologica, LLC. (US) 2007-11-21 EP disclosed
WO-2006091522-A2 METHODS FOR MODULATING MACROPHAGE PROLIFERATION IN OCULAR DISEASE USING POLYAMINE ANALOGS PATHOLOGICA, LLC. (US) 2006-08-31 WO disclosed
EP-1444520-A2 METHODS FOR MONITORING AMYOTROPHIC LATERAL SCLEROSIS SLIL Biomedical Corporation (US) 2004-08-11 EP disclosed
WO-2003048773-A2 METHODS FOR MONITORING AMYOTROPHIC LATERAL SCLEROSIS SLIL BIOMEDICAL CORPORATION (US) 2003-06-12 WO disclosed