SCHEMBL7366464

SCHEMBL7366464

CCC[C@H](NC(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1)C(=O)OC.COC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 15/20 0.43
PSEN2 P49810 15/20 0.43
APH1B Q8WW43 15/20 0.43
NCSTN Q92542 15/20 0.43
APH1A Q96BI3 15/20 0.43
PSENEN Q9NZ42 15/20 0.43
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
RECQL P46063 1/20 0.37
REN P00797 1/20 0.37
PAX8 Q06710 1/20 0.37
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5967082 0.88 SMN1; SMN2 (0.47) HTTSMN1; SMN2L3MBTL1CYP2D6CYP2C9
SCHEMBL5967334 0.86 SMN1; SMN2 (0.49) HTTSMN1; SMN2L3MBTL1CYP2D6CYP2C9
SCHEMBL6446002 0.86 SMN1; SMN2 (0.49) HTTSMN1; SMN2L3MBTL1CYP2D6CYP2C9
SCHEMBL7369161 0.86 LMNA (0.45) HTTSMN1; SMN2L3MBTL1CYP2D6CYP2C9
SCHEMBL7361914 0.85 HTT (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7440531 0.84 REN (0.45) HTTSMN1; SMN2L3MBTL1REN
SCHEMBL5966953 0.82 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5966981 0.81 SMN1; SMN2 (0.49) HTTSMN1; SMN2L3MBTL1CYP2D6CYP2C9
SCHEMBL5966841 0.80 ALDH1A1 (0.49) HTTSMN1; SMN2L3MBTL1CYP2D6CYP2C9
SCHEMBL5966879 0.78 SMN1; SMN2 (0.48) HTTSMN1; SMN2L3MBTL1CYP2D6CYP2C9

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