SCHEMBL5704455

SCHEMBL5704455

COC(=O)CCc1ccc(Oc2cccc(CCN)c2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.48
PPARD Q03181 10/20 0.48
PPARA Q07869 10/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ACHE P22303 3/20 0.46
FFAR1 O14842 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL4615129 0.92 PPARG (0.49) PPARGPPARDPPARAFFAR1MEN1
SCHEMBL5704413 0.87 PPARG (0.39) PPARGPPARDPPARAFFAR1MEN1
SCHEMBL5704470 0.85 PPARG (0.40) PPARGPPARDPPARAFFAR1MEN1
SCHEMBL1745433 0.83 FFAR1 (0.58) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL4516207 0.83 PPARG (0.45) PPARGPPARDPPARAFFAR1MEN1
SCHEMBL4502925 0.82 PPARG (0.49) PPARGPPARDPPARAFFAR1MEN1
SCHEMBL4508283 0.82 FFAR1 (0.56) PPARGPPARDPPARAFFAR1MEN1
SCHEMBL4614607 0.81 PPARG (0.40) PPARGPPARDPPARAFFAR1MEN1
SCHEMBL4615683 0.81 AKR1C3 (0.51) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL4614422 0.81 PPARG (0.42) PPARGPPARDPPARAFFAR1MEN1

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-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 WO disclosed