Spermine

Spermine

SCHEMBL7044349

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)NCC(=O)O.NCCCNCCCCNCCCN

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.45
RELA Q04206 4/20 0.44
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
SLC6A5 Q9Y345 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
EPHX2 P34913 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
CA12 O43570 1/20 0.38
F13A1 P00488 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL28347983 0.86 SLC6A5 (0.50) PAOXRELASLC6A5GNAI3GNAO1
SCHEMBL30997315 0.86 SLC6A5 (0.50) PAOXRELASLC6A5GNAI3GNAO1
SCHEMBL3820683 0.85 SLC6A5 (0.49) PAOXRELASLC6A5GNAI3GNAO1
SCHEMBL16396214 0.84 RELA (0.39) PAOXRELAMAOAMAOBSLC6A5
SCHEMBL3806589 0.84 PLA2G2A (0.47) EPHX2TDP1ALDH1A1TSHRMEN1
SCHEMBL3716127 0.82 AKR1B1 (0.44) EPHX2TDP1ALDH1A1TSHRMEN1
SCHEMBL28328557 0.81 PLA2G2A (0.44) EPHX2TDP1ALDH1A1TSHRMEN1
SCHEMBL28332779 0.81 PLA2G2A (0.44) EPHX2TDP1ALDH1A1TSHRMEN1
Spermine SCHEMBL1740431 0.81 PAOX (0.56) PAOXRELAHDAC6ALDH1A1TSHR
Spermine SCHEMBL27579248 0.81 PAOX (0.56) PAOXRELAHDAC6ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6821264-B1 Gene delivery device and gene delivery method Khurana, Gautam 2004-11-23 US disclosed
WO-2002077154-A2 GENE DELIVERY DEVICE AND GENE DELIVERY METHOD MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2002-10-03 WO disclosed