SCHEMBL6991602

SCHEMBL6991602

Cc1oc(-c2ccccc2)nc1CCOc1[c]cccc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.59
PPARA Q07869 15/20 0.59
KDM4E B2RXH2 1/20 0.51
PPARD Q03181 7/20 0.50
HRH3 Q9Y5N1 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
SCHEMBL6631311 0.82 PPARG (0.55) PPARGPPARAKDM4EPPARD
SCHEMBL4389208 0.81 PPARG (0.79) PPARGPPARAPPARD
SCHEMBL5757520 0.81 PPARG (0.62) PPARGPPARAKDM4EPPARDHRH3
SCHEMBL5730668 0.80 PPARG (0.54) PPARGPPARAPPARDHRH3
SCHEMBL5730014 0.79 PPARG (0.53) PPARGPPARAHRH3
SCHEMBL13916644 0.78 PPARG (0.62) PPARGPPARAKDM4EPPARDHRH3
SCHEMBL3283978 0.78 PPARG (0.77) PPARGPPARAPPARD
SCHEMBL5349232 0.78 PPARA (0.51) PPARGPPARAPPARD
SCHEMBL5738566 0.78 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL5738622 0.77 PPARG (0.61) PPARGPPARAPPARD

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-1313716-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002016331-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-02-28 WO disclosed