SCHEMBL4068968

SCHEMBL4068968

CCC(=O)Oc1c(Nc2ccccc2C(=O)c2ccccc2)cccc1OCCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.56
PPARA Q07869 3/20 0.56
PPARD Q03181 1/20 0.56

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
SCHEMBL9755734 0.81 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL7819528 0.79 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL7598502 0.78 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL2785015 0.77 MEN1 (0.47) PPARG
SCHEMBL5761364 0.75 PPARG (0.73) PPARGPPARAPPARD
SCHEMBL5762738 0.74 PPARG (0.79) PPARGPPARAPPARD
SCHEMBL5761633 0.74 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL7926429 0.73 PPARG (0.70) PPARGPPARAPPARD
SCHEMBL6815603 0.72 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL5760185 0.72 PPARG (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009105234-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH DEFECTS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR GENE OR PROTEIN COMBINATORX, INCORPORATED (US) 2009-08-27 WO disclosed