SCHEMBL5804522

SCHEMBL5804522

CCc1ccc(CCOc2ccc(C(OC(C)C)C(=O)O)cc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.51
CYP3A4 P08684 1/20 0.49
RXRA P19793 1/20 0.49
PPARA Q07869 7/20 0.39
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARD Q03181 2/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
FFAR1 O14842 1/20 0.36
POLB P06746 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36

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
SCHEMBL5803612 0.89 PPARG (0.52) PPARGCYP3A4RXRAPPARALMNA
SCHEMBL5803154 0.88 PPARG (0.52) PPARGCYP3A4RXRAPPARALMNA
SCHEMBL1199905 0.82 PPARG (0.51) PPARGCYP3A4RXRAPPARALMNA
SCHEMBL1201520 0.82 PPARG (0.51) PPARGCYP3A4RXRAPPARALMNA
SCHEMBL5802960 0.81 PPARG (0.51) PPARGCYP3A4RXRAPPARALMNA
SCHEMBL5803726 0.80 PPARG (0.50) PPARGCYP3A4RXRAPPARAL3MBTL1
SCHEMBL2007617 0.79 FFAR1 (0.56) PPARGCYP3A4RXRALMNAL3MBTL1
SCHEMBL943063 0.78 PPARG (0.58) PPARGCYP3A4RXRAPOLB
SCHEMBL4874828 0.78 PPARG (0.58) PPARGCYP3A4RXRAPPARALMNA
SCHEMBL3313236 0.78 PPARG (0.58) PPARGCYP3A4RXRAPPARALMNA

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