SCHEMBL8153442

SCHEMBL8153442

NCCCCC(C(=O)O)C(=O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.50
LMNA P02545 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTSK P43235 1/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
KMT2A Q03164 2/20 0.44
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HRH1 P35367 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL27475290 0.85 GSK3B (0.50) GSK3BLMNANAPRTP4HTML3MBTL1
SCHEMBL31411149 0.85 GSK3B (0.50) GSK3BLMNANAPRTP4HTML3MBTL1
Lysine SCHEMBL28145765 0.81 GSR (0.56) LMNANAPRTP4HTML3MBTL1CTSK
SCHEMBL27474889 0.81 CTSK (0.52) GSK3BLMNANAPRTP4HTML3MBTL1
SCHEMBL8772974 0.79 CTSK (0.64) CTSKKMT2AEPHX2HDAC3HDAC4
SCHEMBL4404268 0.79 CTSK (0.64) CTSKKMT2AEPHX2HDAC3HDAC4
SCHEMBL825451 0.79 CTSK (0.64) CTSKKMT2AEPHX2HDAC3HDAC4
SCHEMBL11620332 0.79 ALDH1A1 (0.50) GSK3BLMNANAPRTP4HTML3MBTL1
SCHEMBL2475253 0.78 CTSK (0.39) LMNANAPRTP4HTML3MBTL1CTSK
SCHEMBL2475256 0.78 CTSK (0.39) LMNANAPRTP4HTML3MBTL1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1090973-C Technetium-99m labeled peptides for imaging DIATECH INC (US) 2002-09-18 CN disclosed
US-6074627-A STABLE COMPLEX DIATIDE, INC. (US) 2000-06-13 US disclosed
US-5997844-A Technetium-99m labeled peptides for imaging DIATIDE, INC. (US) 1999-12-07 US disclosed
EP-0762901-A1 TECHNETIUM-99m LABELED PEPTIDES FOR IMAGING DIATECH, INC. (US) 1997-03-19 EP disclosed
WO-1995033498-A1 TECHNETIUM-99m LABELED PEPTIDES FOR IMAGING DIATECH, INC. (US) 1995-12-14 WO disclosed
EP-0637968-A1 TECHNETIUM-99m LABELED PEPTIDES FOR IMAGING Diatide, Inc. (US) 1995-02-15 EP disclosed
WO-1993021962-A1 TECHNETIUM-99m LABELED PEPTIDES FOR IMAGING DIATECH, INC. (US) 1993-11-11 WO disclosed