SCHEMBL7365506

SCHEMBL7365506

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)O.CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADAMTS4 O75173 1/20 0.44
MMP13 P45452 1/20 0.44
CTSD P07339 4/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PAX8 Q06710 1/20 0.43
PSMB5 P28074 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
SCHEMBL5967194 0.96 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2HTTL3MBTL1ADAMTS4
SCHEMBL5966841 0.96 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTL3MBTL1CTSD
Morpholine SCHEMBL27509052 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTL3MBTL1ADAMTS4
SCHEMBL6446002 0.87 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2HTTL3MBTL1CYP2D6
SCHEMBL5967334 0.87 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2HTTL3MBTL1CYP2D6
SCHEMBL5967098 0.87 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2HTTL3MBTL1ADAMTS4
SCHEMBL5966897 0.86 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2HTTL3MBTL1ADAMTS4
SCHEMBL5966981 0.85 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2HTTL3MBTL1CYP2D6
SCHEMBL7371505 0.84 CCR1 (0.41) ALDH1A1SMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL5966978 0.83 POLB (0.52) ALDH1A1HTTCTSDCYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP claimed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO claimed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP disclosed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed