SCHEMBL1077489

SCHEMBL1077489

CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
PSMB1 P20618 1/20 0.53
PSMB5 P28074 1/20 0.53
PSMB2 P49721 1/20 0.53
MMP8 P22894 2/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ANPEP P15144 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49

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
Hydrochloric Acid SCHEMBL8612979 0.92 MMP8 (0.57) KMT2AMMP8MMP2MMP9CTSL
SCHEMBL8614468 0.88 MMP8 (0.61) PSMB1PSMB5PSMB2MMP8MMP2
SCHEMBL7806369 0.86 KMT2A (0.58) KMT2AANPEP
SCHEMBL7806373 0.86 KMT2A (0.58) KMT2AANPEP
SCHEMBL12310885 0.86 KMT2A (0.58) KMT2AANPEP
Hydrochloric Acid SCHEMBL8617113 0.86 MMP8 (0.52) KMT2AMMP8MMP2MMP9
SCHEMBL24346074 0.86 MMP8 (0.52) MMP8CTSLCTSBCTSS
SCHEMBL29591265 0.86 ACE (0.54) KMT2AMMP8CTSLCTSBCTSS
Hydrochloric Acid SCHEMBL8620919 0.85 CTSL (0.53) MMP8MMP2MMP9CTSL
Hydrochloric Acid SCHEMBL8617611 0.85 KMT2A (0.56) KMT2AANPEP

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288388-B1 ACHIEVEMENT OF HIGH THERAPEUTIC INDEX THROUGH MOLECULAR IMAGING GUIDED TARGETED DRUG TREATMENT SIEMENS MEDICAL SOLUTIONS (US) 2016-08-31 EP disclosed
EP-1793841-B1 PEPTIDE INHIBITORS OF C-JUN DIMERIZATION AND USES THEREOF PHYLOGICA LTD (AU) 2013-04-03 EP disclosed
US-20120329720-A1 ANTI-INFLAMMATORY COMPOUNDS AND USES THEREOF YALE UNIVERSITY (US) 2012-12-27 US disclosed
US-8293206-B2 Achievement of a high therapeutic index through molecular imaging guided targeted drug treatment SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-10-23 US disclosed
US-8242240-B2 Anti-inflammatory compounds and uses thereof YALE UNIVERSITY (US) 2012-08-14 US disclosed
US-8217138-B2 Anti-inflammatory compounds and uses thereof YALE UNIVERSITY (US) 2012-07-10 US disclosed
US-20120101028-A1 ANTI-INFLAMMATORY COMPOUNDS AND USES THEREOF YALE UNIVERSITY (US) 2012-04-26 US disclosed
EP-1448593-B1 ALPHA-FETOPROTEIN PEPTIDES AND USES THEREOF ALBANY MEDICAL COLLEGE (US) 2012-01-11 EP disclosed
US-20110269692-A1 ALPHA-FETOPROTEIN PEPTIDES AND USES THEREOF ALBANY MEDICAL COLLEGE 2011-11-03 US disclosed
US-8017726-B2 Anti-inflammatory compounds and uses thereof YALE UNIVERSITY (US) 2011-09-13 US disclosed
US-6303567-B1 FOR DIAGNOSIS AND THERAPY OF AMYLOIDOGENIC DISEASES SUCH AS ALZHEIMER'S DISEASE PRAECIS PHARMACEUTICALS, INC . 2001-10-16 US disclosed
US-6277826-B1 CONSISTING OF D-LEUCINE, D-PHENYLALANINE AND D-VALINE; PEPTIDE IS MODIFIED AT THE AMINO-TERMINUS, THE CARBOXY-TERMINUS, OR BOTH WITH AN AMIDE OR A HYDROXY GROUP PRAECIS PHARMACEUTICALS, INC. 2001-08-21 US disclosed
WO-2000052048-A1 MODULATORS OF BETA-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2000-09-08 WO disclosed
US-5985242-A PEPTIDE OF 3 TO 5 D-AMINO ACIDS; MAY BE MODIFIED AT AMINO-AND/OR CARBOXY TERMINUS; FOR TREATMENT OF AMYLOIDOSIS, ALZHEIMER'S DISEASE PRAECIS PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
EP-0929574-A1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 1999-07-21 EP disclosed
US-5854204-A Aβ peptides that modulate β-amyloid aggregation PRAECIS PHARMACEUTICALS, INC. (US) 1998-12-29 US disclosed
WO-1998008868-A9 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS 1998-05-28 WO disclosed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 WO disclosed
EP-0815134-A1 MODULATORS OF AMYLOID AGGREGATION Praecis Pharmaceuticals Incorporated (US) 1998-01-07 EP disclosed
WO-1996028471-A1 MODULATORS OF AMYLOID AGGREGATION PRAECIS PHARMACEUTICALS INCORPORATED (US) 1996-09-19 WO disclosed