SCHEMBL1197902

SCHEMBL1197902

CCOc1ccc(CC(CC(=O)O)N(CCN(CCN(CCC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACACB O00763 9/20 0.40
SUCNR1 Q9BXA5 1/20 0.39
LTA4H P09960 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
ALOX5 P09917 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
SCHEMBL4574671 0.89 LMNA (0.41) MAOBLMNAL3MBTL1ACACBLTA4H
SCHEMBL1198247 0.87 MAOB (0.56) MAOBLTA4HFFAR1FFAR4ALOX5
SCHEMBL1943044 0.86 MAOB (0.41) MAOBLMNAL3MBTL1ACACBFFAR1
SCHEMBL8672662 0.84 MAOB (0.42) MAOBALDH1A1POLBCYP2C9CYP2C19
SCHEMBL1197225 0.83 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL5133619 0.82 MAOB (0.50) MAOBACACB
Caloxetic Acid Free Base SCHEMBL8412091 0.81 MAOB (0.43) MAOBALDH1A1POLBCYP2C9CYP2C19
SCHEMBL8338898 0.81 ALDH1A1 (0.43) MAOBALDH1A1POLBCYP2C9CYP2C19
Caloxetic Acid Free Base SCHEMBL92689 0.81 MAOB (0.43) MAOBALDH1A1POLBCYP2C9CYP2C19
Caloxetic Acid Free Base SCHEMBL19667948 0.80 MAOB (0.42) MAOBALDH1A1POLBCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030064026-A1 Lipophilic metal complexes for necrosis and infarction imaging SCHERING AG (DE) 2003-04-03 US claimed
US-6495118-B1 Lipophilic metal complexes for necrosis and infarction imaging SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-17 US claimed
US-8741262-B2 Targeted radiotherapy KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-06-03 US disclosed
EP-2219683-B1 TARGETED RADIOTHERAPY UNIV LEUVEN KATH (BE) 2012-05-30 EP disclosed
US-20110038795-A1 TARGETED RADIOTHERAPY KATHOLIEKE UNIVERSITEIT LEUVEN K.U.LEUVEN R&D (BE) 2011-02-17 US disclosed
EP-2219683-A2 TARGETED RADIOTHERAPY Katholieke Universiteit Leuven (BE) 2010-08-25 EP disclosed
WO-2009067767-A2 TARGETED RADIOTHERAPY KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2009-06-04 WO disclosed
US-20030064026-A1 Lipophilic metal complexes for necrosis and infarction imaging SCHERING AG (DE) 2003-04-03 US disclosed