SCHEMBL7101627

SCHEMBL7101627

CC(=O)Oc1ccc(C(=O)CCc2nc(-c3ccccc3Cl)oc2C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.51
PPARA Q07869 6/20 0.51
PPARD Q03181 6/20 0.51
TP53 P04637 3/20 0.42
CYP2C9 P11712 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
PTBP1 P26599 1/20 0.37
TSHR P16473 1/20 0.37
KDR P35968 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
SCHEMBL7102199 0.94 PPARD (0.49) PPARGPPARAPPARDTP53CYP2C9
SCHEMBL376890 0.88 PPARG (0.49) PPARGPPARAPPARDTP53CYP2C9
SCHEMBL376724 0.85 PPARA (0.67) PPARGPPARAPPARDCYP2C9NR1H4
SCHEMBL5846793 0.85 PPARD (0.47) PPARGPPARAPPARDTP53CYP2C9
SCHEMBL5845384 0.83 PPARD (0.47) PPARGPPARAPPARDTP53SMN1; SMN2
SCHEMBL5845540 0.83 PPARD (0.45) PPARGPPARAPPARDTP53SMN1; SMN2
SCHEMBL377239 0.82 PPARA (0.55) PPARGPPARAPPARDTP53SMN1; SMN2
SCHEMBL376998 0.80 PPARG (0.65) PPARGPPARAPPARDNR1H4
SCHEMBL5846365 0.80 PPARD (0.46) PPARGPPARAPPARDTP53CYP2C9
SCHEMBL5846796 0.79 PPARG (0.47) PPARGPPARAPPARDTP53CYP2C9

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