SCHEMBL7102199

SCHEMBL7102199

CC(=O)Oc1ccc(C(=O)CCCc2nc(-c3ccccc3Cl)oc2C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.49
PPARG P37231 7/20 0.49
PPARA Q07869 7/20 0.49
TP53 P04637 3/20 0.41
NR1H4 Q96RI1 1/20 0.41
ATM Q13315 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FFAR1 O14842 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
PTBP1 P26599 1/20 0.36
TSHR P16473 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
SCHEMBL7101627 0.94 PPARG (0.51) PPARDPPARGPPARATP53NR1H4
SCHEMBL376998 0.86 PPARG (0.65) PPARDPPARGPPARANR1H4
SCHEMBL5846365 0.86 PPARD (0.46) PPARDPPARGPPARATP53NR1H4
SCHEMBL5845148 0.85 PPARD (0.45) PPARDPPARGPPARATP53NR1H4
SCHEMBL30003783 0.85 PPARD (0.45) PPARDPPARGPPARATP53NR1H4
SCHEMBL24658486 0.85 PPARD (0.45) PPARDPPARGPPARATP53NR1H4
SCHEMBL30003787 0.85 PPARD (0.45) PPARDPPARGPPARATP53NR1H4
SCHEMBL1765909 0.84 PPARD (0.46) PPARDPPARGPPARATP53NR1H4
SCHEMBL5845397 0.83 PPARD (0.44) PPARDPPARGPPARATP53NR1H4
SCHEMBL376890 0.82 PPARG (0.49) PPARDPPARGPPARATP53CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1371650-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR NIPPON CHEMIPHAR CO., LTD. (JP) 2003-12-17 EP disclosed