SCHEMBL6149560

SCHEMBL6149560

CO[C@@H](Cc1cccc(OC(C)CC(=O)NC2CCC(C(C)(C)C)CC2)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
POLB P06746 1/20 0.38
CCR8 P51685 3/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
DRD3 P35462 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PPARG P37231 4/20 0.37
PPARA Q07869 4/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
PPARD Q03181 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
SCHEMBL6150154 0.90 PPARG (0.41) CTSDPPARGPPARAALDH1A1PPARD
SCHEMBL3962843 0.87 SMN1; SMN2 (0.50) CTSDSIGMAR1POLBCNR1CNR2
SCHEMBL3962837 0.87 SMN1; SMN2 (0.50) CTSDSIGMAR1POLBCNR1CNR2
SCHEMBL3964565 0.87 SMN1; SMN2 (0.50) CTSDSIGMAR1POLBCNR1CNR2
SCHEMBL5360187 0.83 CTSD (0.40) CTSDSIGMAR1CNR1CNR2PPARG
SCHEMBL14501959 0.77 LMNA (0.50) PPARGPPARAKMT2AMEN1ALDH1A1
SCHEMBL14501960 0.77 LMNA (0.50) PPARGPPARAKMT2AMEN1ALDH1A1
SCHEMBL3959969 0.77 LMNA (0.50) PPARGPPARAKMT2AMEN1ALDH1A1
SCHEMBL3959968 0.77 LMNA (0.50) PPARGPPARAKMT2AMEN1ALDH1A1
SCHEMBL5360563 0.77 LMNA (0.50) PPARGPPARAKMT2AMEN1ALDH1A1

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 6 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 claimed
WO-2004000789-A9 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2004-03-11 WO claimed
WO-2004000789-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-31 WO claimed
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