SCHEMBL5509899

SCHEMBL5509899

CC(C)(C)OC(=O)[C@H](Cc1ccc(Br)nc1)N(C=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.32
BACE1 P56817 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MDM2 Q00987 1/20 0.30
CASP3 P42574 1/20 0.30

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
SCHEMBL5508572 1.00 SIRT2 (0.32) SIRT2BACE1PPARGPPARAMDM2
SCHEMBL5508568 0.88 BACE1 (0.31) BACE1PPARGPPARAMDM2
Hydrochloric Acid SCHEMBL5502983 0.86 PPARG (0.35) SIRT2PPARGPPARAMDM2CASP3
SCHEMBL4432786 0.81 BACE1 (0.38) BACE1MDM2CASP3
SCHEMBL1998054 0.78 MDM4 (0.46) MDM2CASP3
SCHEMBL1998055 0.78 MDM4 (0.46) MDM2CASP3
SCHEMBL30229531 0.78 MDM4 (0.46) MDM2CASP3
SCHEMBL5502110 0.76 PPARG (0.36) PPARGPPARACASP3
Hydrochloric Acid SCHEMBL5502082 0.74 PPARG (0.36) PPARGPPARACASP3
SCHEMBL29633905 0.74 FABP5 (0.37) MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773877-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Bristol-Myers Squibb Company (US) 2007-04-18 EP disclosed
WO-2006014287-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-09 WO disclosed