SCHEMBL6825918

SCHEMBL6825918

NCCCN1CCN(CCCN)CC1.NCCCNCCNCCCN

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.64
CASP2 P42575 2/20 0.59
ALOX15 P16050 4/20 0.52
CA12 O43570 3/20 0.52
CA2 P00918 3/20 0.52
CA4 P22748 3/20 0.52
CA6 P23280 3/20 0.52
CA5A P35218 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
CA5B Q9Y2D0 3/20 0.52
F13A1 P00488 2/20 0.52
CYP1A2 P05177 2/20 0.52
THPO P40225 2/20 0.52
MEN1 O00255 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL8875699 0.91 ACE2 (0.64) ACE2CASP2ALOX15CA12CA2
SCHEMBL10936965 0.90 ACE2 (0.57) ACE2CASP2ALOX15CA12CA2
SCHEMBL24773495 0.87 ACE2 (0.72) ACE2CASP2ALOX15CA12CA2
SCHEMBL5672546 0.86 ACE2 (0.64) ACE2CASP2ALOX15CA12CA2
SCHEMBL10939162 0.84 ACE2 (0.56) ACE2CASP2ALOX15CA12CA2
Norspermidine SCHEMBL28830161 0.84 ACE2 (0.50) ACE2CASP2ALOX15CA12CA2
SCHEMBL4361290 0.83 ACE2 (0.54) ACE2CASP2ALOX15CA12CA2
SCHEMBL6506342 0.83 ACE2 (0.54) ACE2CASP2ALOX15CA12CA2
SCHEMBL6510779 0.83 ACE2 (0.54) ACE2CASP2ALOX15CA12CA2
SCHEMBL15295964 0.83 ACE2 (0.54) ACE2CASP2ALOX15CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436374-A1 BENEFIT AGENT DELIVERY SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2004-07-14 EP disclosed
US-20030134772-A1 Benefit agent delivery systems PROCTER & GAMBLE COMPANY, THE 2003-07-17 US disclosed
WO-2003033636-A1 BENEFIT AGENT DELIVERY SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2003-04-24 WO disclosed