SCHEMBL7581741

SCHEMBL7581741

O=C(O)C(Cc1ccccc1)C(=O)CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.61
FFAR1 O14842 2/20 0.57
TRPA1 O75762 1/20 0.54
CYP1A2 P05177 1/20 0.53
MDM2 Q00987 1/20 0.53
ALDH1A1 P00352 1/20 0.52
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
CPA3 P15088 1/20 0.49
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
PPARG P37231 3/20 0.47
PPARA Q07869 2/20 0.47
GPR52 Q9Y2T5 1/20 0.47

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
SCHEMBL5599125 0.94 KEAP1 (0.63) KEAP1FFAR1TRPA1CYP1A2MDM2
SCHEMBL3857496 0.86 MDM2 (0.71) KEAP1FFAR1TRPA1CYP1A2MDM2
SCHEMBL7596738 0.85 SLC7A5 (0.53) KEAP1FFAR1CYP1A2ALDH1A1SLC7A5
SCHEMBL27947403 0.85 ANPEP (0.52) FFAR1CYP1A2ALDH1A1
SCHEMBL2565008 0.83 CYP1A2 (0.52) CYP1A2MDM2ALPIPKMPTGS1
SCHEMBL16738222 0.83 KEAP1 (0.53) KEAP1FFAR1TRPA1ALDH1A1ALPI
SCHEMBL11087566 0.83 ALDH1A1 (0.55) KEAP1FFAR1TRPA1ALDH1A1HDAC2
SCHEMBL392827 0.81 CYP1A2 (0.70) KEAP1CYP1A2MDM2ALPIPKM
SCHEMBL476969 0.81 KEAP1 (0.61) KEAP1FFAR1TRPA1CYP1A2ALDH1A1
SCHEMBL10889375 0.80 ALDH1A1 (0.52) KEAP1FFAR1ALDH1A1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060574-A1 ALPHA BETA MODULATING PEPTIDES Alzhyme Pty Ltd (AU) 2016-08-31 EP disclosed
WO-2015058258-A1 AΒ MODULATING PEPTIDES ALZHYME PTY LTD (AU) 2015-04-30 WO disclosed
CN-103492375-A Pyrazole derivatives, preparation method thereof and composition for preventing and treating osteoporosis comprising the same UNIV EWHA IND COLLABORATION 2014-01-01 CN disclosed
EP-1263454-A2 METHODS FOR ENHANCING THE BIOAVAILABILITY OF A DRUG Praecis Pharmaceuticals Incorporated (US) 2002-12-11 EP disclosed
WO-2000052048-A9 MODULATORS OF BETA-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARM INC (US) 2002-04-11 WO disclosed
EP-1161449-A1 MODULATORS OF BETA-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 2001-12-12 EP disclosed
WO-2001058470-A2 METHODS FOR ENHANCING THE BIOAVAILABILITY OF A DRUG PRAECIS PHARMACEUTICALS INCORPORATED (US) 2001-08-16 WO disclosed
WO-2000052048-A1 MODULATORS OF BETA-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2000-09-08 WO disclosed
EP-0929574-A1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 1999-07-21 EP 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