SCHEMBL4084876

SCHEMBL4084876

CCC(CC)N(Cc1ccccc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
TP53 P04637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
VCAM1 P19320 2/20 0.52
THRB P10828 1/20 0.47
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL3456586 0.89 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TP53L3MBTL1VCAM1
SCHEMBL4252105 0.80 CRHBP (0.51) ALDH1A1TP53L3MBTL1GAAKMT2A
SCHEMBL1169641 0.78 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2TP53L3MBTL1VCAM1
SCHEMBL3456436 0.77 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2L3MBTL1MAPK1GAA
SCHEMBL1169077 0.76 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2TP53L3MBTL1VCAM1
SCHEMBL3110750 0.73 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2L3MBTL1VCAM1MAPK1
SCHEMBL4072443 0.72 TMEM97 (0.50) ALDH1A1SMN1; SMN2TP53KMT2AMEN1
SCHEMBL5913044 0.72 VCAM1 (0.68) ALDH1A1SMN1; SMN2VCAM1MAPK1KMT2A
SCHEMBL31272847 0.72 VCAM1 (0.68) ALDH1A1SMN1; SMN2VCAM1MAPK1KMT2A
SCHEMBL10390209 0.72 VCAM1 (0.62) ALDH1A1SMN1; SMN2VCAM1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778985-B2 Inhibiting amyloid-beta peptide/rage interaction at the blood-brain barrier THE UNIVERSITY OF ROCHESTER (US) 2014-07-15 US claimed
US-8778985-B2 Inhibiting amyloid-beta peptide/rage interaction at the blood-brain barrier THE UNIVERSITY OF ROCHESTER (US) 2014-07-15 US disclosed
EP-1993527-A4 INHIBITING AMYLOID-BETA PEPTIDE/RAGE INTERACTION AT THE BLOOD-BRAIN BARRIER UNIV ROCHESTER (US) 2009-08-05 EP disclosed
EP-1993527-A2 INHIBITING AMYLOID-BETA PEPTIDE/RAGE INTERACTION AT THE BLOOD-BRAIN BARRIER THE UNIVERSITY OF ROCHESTER (US) 2008-11-26 EP disclosed
WO-2007089616-A2 INHIBITING AMYLOID-BETA PEPTIDE/RAGE INTERACTION AT THE BLOOD-BRAIN BARRIER THE UNIVERSITY OF ROCHESTER (US) 2007-08-09 WO disclosed