SCHEMBL6631311

SCHEMBL6631311

Cc1oc(-c2ccccc2)nc1CCOc1[c]c(C=O)ccc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.55
PPARA Q07869 15/20 0.55
KDM4E B2RXH2 1/20 0.48
PPARD Q03181 2/20 0.48

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
SCHEMBL6991602 0.82 PPARG (0.59) PPARGPPARAKDM4EPPARD
SCHEMBL5730668 0.81 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL6633976 0.81 PPARG (0.51) PPARGPPARA
SCHEMBL5730014 0.80 PPARG (0.53) PPARGPPARA
SCHEMBL5346336 0.79 PPARG (0.49) PPARGPPARAPPARD
SCHEMBL5349232 0.79 PPARA (0.51) PPARGPPARAPPARD
SCHEMBL7897429 0.78 PPARG (0.61) PPARGPPARAKDM4EPPARD
SCHEMBL5729663 0.78 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL6631504 0.78 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL6635382 0.78 PPARG (0.58) 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-1401434-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2004-03-31 EP disclosed
WO-2002100403-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2002-12-19 WO disclosed