SCHEMBL5729892

SCHEMBL5729892

Cc1cc(-c2ccc(Br)cc2)nn1CCOc1ccc(CCC(=O)O)c(CN(CC=O)OC(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.40
PPARA Q07869 15/20 0.40
PPARD Q03181 8/20 0.36
CSF3R Q99062 1/20 0.33
LSS P48449 1/20 0.32

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
SCHEMBL5737959 0.93 PPARG (0.45) PPARGPPARAPPARD
SCHEMBL4887411 0.84 PPARG (0.40) PPARGPPARAPPARDCSF3R
SCHEMBL4887413 0.81 PPARG (0.44) PPARGPPARAPPARDCSF3R
SCHEMBL4889108 0.81 PPARG (0.56) PPARGPPARAPPARDCSF3R
SCHEMBL4896200 0.80 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4894563 0.77 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL4897388 0.77 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL4894571 0.74 PPARG (0.51) PPARGPPARAPPARDCSF3R
SCHEMBL4897375 0.74 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL4894333 0.74 PPARG (0.65) PPARGPPARAPPARDCSF3R

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
EP-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed