SCHEMBL8009232

SCHEMBL8009232

NCCC(=O)N(CCN)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIB P23284 1/20 0.41
PPID Q08752 1/20 0.41
PPIG Q13427 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LTA4H P09960 1/20 0.39
KMT2A Q03164 2/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
EGFR P00533 1/20 0.38
ALOX5 P09917 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL21022934 0.82 L3MBTL1 (0.46) L3MBTL1LTA4HALOX5
SCHEMBL23616323 0.79 TP53 (0.49) PPIBPPIDPPIGL3MBTL1ALDH1A1
SCHEMBL10761433 0.75 L3MBTL1 (0.51) L3MBTL1
SCHEMBL9775314 0.73 L3MBTL1 (0.52) L3MBTL1ALDH1A1
SCHEMBL9775331 0.73 L3MBTL1 (0.49) L3MBTL1KMT2AMEN1
SCHEMBL9705385 0.72 HDAC3 (0.46) L3MBTL1LTA4HMAPK1SLC6A3ALOX5
SCHEMBL21023137 0.72 CYP3A4 (0.41) L3MBTL1KMT2AMAPK1SLC6A3ALOX5
SCHEMBL8008962 0.72 ALDH1A1 (0.57) L3MBTL1ALDH1A1KMT2AMAPK1TDP1
SCHEMBL717758 0.72 ALDH1A1 (0.47) L3MBTL1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL5320045 0.71 PARP10 (0.44) PPIBPPIDPPIGL3MBTL1ALDH1A1

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-6056939-A Self-assembling heteropolymetallic chelates as imaging agents and radiopharmaceuticals BRACCO IMAGING S.P.A. (IT) 2000-05-02 US disclosed