SCHEMBL6149147

SCHEMBL6149147

CO[C@@H](Cc1cccc(OC(C)CC(=O)NCCc2c(Cl)cccc2Cl)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.42
PPARA Q07869 7/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CNR1 P21554 1/20 0.39
PPARD Q03181 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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 0.89 ALDH1A1 (0.49) PPARGPPARACA1CA2CNR1
SCHEMBL6149805 0.87 HPGD (0.51) PPARGPPARACNR1HTT
SCHEMBL6150826 0.82 EPHX2 (0.44) ALDH1A1MTNR1AMTNR1B
SCHEMBL6150806 0.82 PPARA (0.46) PPARGPPARAPPARD
SCHEMBL5364083 0.81 TACR2 (0.40) PPARGPPARACA1CA2CNR1
SCHEMBL6148908 0.78 AOC3 (0.49) PPARGPPARAPPARDALDH1A1HTT
SCHEMBL6150597 0.77 PPARA (0.47) PPARGPPARAHTT
SCHEMBL6658216 0.76 PPARA (0.51) PPARGPPARACNR1PPARD
SCHEMBL6150313 0.74 KMT2A (0.49) PPARGPPARAPPARD
SCHEMBL6656765 0.73 PPARA (0.46) PPARGPPARAPPARD

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