SCHEMBL5815275

SCHEMBL5815275

CCON=C(COc1cccc(CC(OCC)C(=O)O)c1)c1nnc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 18/20 0.48
▸ PPARA Q07869 17/20 0.48
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ PPARD Q03181 1/20 0.39

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
SCHEMBL5815267 1.00 PPARG (0.48) PPARGPPARAPOLBKDM4EPPARD
SCHEMBL5814061 0.95 PPARG (0.46) PPARGPPARAPOLBKDM4E
SCHEMBL5814066 0.95 PPARG (0.46) PPARGPPARAPOLBKDM4E
SCHEMBL5810162 0.93 POLB (0.41) PPARGPPARAPOLBKDM4E
SCHEMBL5814678 0.93 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL5810168 0.93 POLB (0.41) PPARGPPARAPOLBKDM4E
SCHEMBL5814681 0.93 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL5815227 0.90 PPARA (0.49) PPARGPPARAPOLBPPARD
SCHEMBL5815263 0.88 POLB (0.41) PPARGPPARAPOLBKDM4E
SCHEMBL5815262 0.88 POLB (0.41) PPARGPPARAPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006057503-A1 NOVEL COMPOUNDS AS AGONIST FOR PPARϜ AND PPARα, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2006-06-01 — — WO disclosed
Send feedback