SCHEMBL7361914

SCHEMBL7361914

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BIRC2 Q13490 1/20 0.42
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
CTSL P07711 1/20 0.40

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
SCHEMBL5966879 0.93 SMN1; SMN2 (0.48) HTTSMN1; SMN2L3MBTL1BIRC2PSMB1
SCHEMBL7440531 0.88 REN (0.45) HTTSMN1; SMN2L3MBTL1BIRC2PSMB1
SCHEMBL20514983 0.87 SMN1; SMN2 (0.54) HTTSMN1; SMN2L3MBTL1BIRC2PSMB1
SCHEMBL20514985 0.87 SMN1; SMN2 (0.54) HTTSMN1; SMN2L3MBTL1BIRC2PSMB1
SCHEMBL5967264 0.86 PSEN1 (0.47) BIRC2PSEN1PSEN2APH1BNCSTN
SCHEMBL7366464 0.85 PSEN1 (0.43) HTTSMN1; SMN2L3MBTL1PSEN1PSEN2
SCHEMBL5966981 0.85 SMN1; SMN2 (0.49) HTTSMN1; SMN2L3MBTL1
SCHEMBL5967082 0.83 SMN1; SMN2 (0.47) HTTSMN1; SMN2L3MBTL1
SCHEMBL5967053 0.83 ALDH1A1 (0.53) HTTSMN1; SMN2L3MBTL1PSMB1PSMB5
SCHEMBL20515051 0.81 SMN1; SMN2 (0.58) HTTSMN1; SMN2L3MBTL1

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 3 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 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