SCHEMBL6065353

SCHEMBL6065353

Cn1nc(-c2ccc(Cl)cc2)cc1COc1ccc2c(CC(=O)O)c[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.43
PPARD Q03181 5/20 0.43
PPARA Q07869 4/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
DRD2 P14416 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MDH2 P40926 1/20 0.37
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
FFAR1 O14842 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
SCHEMBL6064613 0.89 PPARG (0.40) PPARGPPARDPPARAMAPTPOLB
SCHEMBL6064607 0.89 PPARD (0.41) PPARGPPARDPPARAKDM4EALDH1A1
SCHEMBL6064615 0.89 PPARD (0.45) PPARGPPARDPPARAKDM4EPTGDR2
SCHEMBL6064619 0.82 PPARG (0.42) PPARGPPARDPPARAKDM4EMAPT
SCHEMBL6064601 0.82 PKM (0.43) MAPTPOLBALDH1A1LMNATSHR
SCHEMBL6065278 0.81 KDM4E (0.48) PPARGPPARDPPARAKDM4EALDH1A1
SCHEMBL6064586 0.81 PPARG (0.42) PPARGPPARDPPARAKDM4EMAPT
SCHEMBL6064614 0.80 PPARD (0.40) PPARGPPARDPPARAKDM4E
SCHEMBL6065359 0.80 KDM4E (0.38) PPARGPPARDPPARAKDM4E
SCHEMBL6065370 0.79 PPARD (0.39) PPARGPPARDPPARAKDM4EFFAR1

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-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed