SCHEMBL6150826

SCHEMBL6150826

CCCCCCCNC(=O)CC(C)Oc1cccc(C[C@H](OC)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
PTGS2 P35354 1/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 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
SCHEMBL6150725 0.84 ALDH1A1 (0.49) HPGDALDH1A1KMT2A
SCHEMBL6149147 0.82 PPARG (0.42) MTNR1AMTNR1BALDH1A1
SCHEMBL5354670 0.80 PPARA (0.53) EPHX2
SCHEMBL6148908 0.80 AOC3 (0.49) HPGDALDH1A1
SCHEMBL6150404 0.80 PPARA (0.50)
SCHEMBL6149805 0.79 HPGD (0.51) HPGD
SCHEMBL6656765 0.75 PPARA (0.46) KMT2A
SCHEMBL5353330 0.75 TSHR (0.54) HPGDALDH1A1KMT2A
SCHEMBL5361731 0.75 TSHR (0.54) HPGDALDH1A1KMT2A
SCHEMBL3963793 0.75 TSHR (0.54) HPGDALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517882-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-30 EP disclosed
WO-2004000789-A9 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2004-03-11 WO disclosed
WO-2004000789-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-31 WO disclosed