SCHEMBL5803154

SCHEMBL5803154

CCOC(C(=O)O)c1ccc(OCCc2ccc(CC)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.52
CYP3A4 P08684 1/20 0.50
RXRA P19793 1/20 0.50
PPARA Q07869 8/20 0.45
FFAR1 O14842 3/20 0.43
PPARD Q03181 2/20 0.41
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACACB O00763 1/20 0.38

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
SCHEMBL5803726 0.90 PPARG (0.50) PPARGCYP3A4RXRAPPARAFFAR1
SCHEMBL5803612 0.90 PPARG (0.52) PPARGCYP3A4RXRAPPARAFFAR1
SCHEMBL5804522 0.88 PPARG (0.51) PPARGCYP3A4RXRAPPARAFFAR1
SCHEMBL2361274 0.84 PPARA (0.61) PPARGPPARAPPARD
SCHEMBL2332479 0.84 PPARA (0.61) PPARGPPARAPPARD
SCHEMBL2332774 0.84 PPARA (0.61) PPARGPPARAPPARD
SCHEMBL5802960 0.82 PPARG (0.51) PPARGCYP3A4RXRAPPARAPPARD
SCHEMBL1199905 0.81 PPARG (0.51) PPARGCYP3A4RXRAPPARAFFAR1
SCHEMBL1201520 0.81 PPARG (0.51) PPARGCYP3A4RXRAPPARAFFAR1
SCHEMBL4026050 0.80 PPARG (0.48) PPARGCYP3A4RXRAPPARAFFAR1

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
WO-2006082495-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS RANBAXY LABORATORIES LIMITED (IN) 2006-08-10 WO claimed
WO-2006082495-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS RANBAXY LABORATORIES LIMITED (IN) 2006-08-10 WO disclosed