Sugi Predict

Sugi Predict / Compounds / SCHEMBL5508568

SCHEMBL5508568

SCHEMBL5508568

Cc1ccccc1-c1ccc(C[C@@H](C(=O)OC(C)(C)C)N(C=O)OCC2c3ccccc3-c3ccccc32)cn1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ PPARG P37231 1/20 0.30
▸ PPARA Q07869 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
SCHEMBL5502110 0.89 PPARG (0.36) PPARGPPARA
SCHEMBL5509899 0.88 SIRT2 (0.32) BACE1MDM2PPARGPPARA
SCHEMBL5508572 0.88 SIRT2 (0.32) BACE1MDM2PPARGPPARA
SCHEMBL4432786 0.80 BACE1 (0.38) BACE1MDM2
SCHEMBL2000013 0.78 MDM4 (0.45) MDM2
SCHEMBL30229509 0.78 MDM4 (0.45) MDM2
Hydrochloric Acid SCHEMBL5502082 0.78 PPARG (0.36) PPARGPPARA
SCHEMBL2000016 0.78 MDM4 (0.45) MDM2
SCHEMBL29633737 0.74 FABP5 (0.34) MDM2PPARGPPARA
SCHEMBL25657535 0.74 FABP5 (0.34) MDM2PPARGPPARA

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