SCHEMBL5852097

SCHEMBL5852097

Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C(C)Oc1cccc(CCC(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.59
PPARG P37231 9/20 0.59
PPARA Q07869 8/20 0.59
PTPN1 P18031 4/20 0.49
CYP2C9 P11712 1/20 0.46
KCNH2 Q12809 1/20 0.46
FFAR1 O14842 2/20 0.46
VDR P11473 1/20 0.45
FFAR4 Q5NUL3 2/20 0.45

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
SCHEMBL5852080 0.91 PPARD (0.50) PPARDPPARGPPARAPTPN1CYP2C9
SCHEMBL5220549 0.85 PPARD (0.58) PPARDPPARGPPARAPTPN1FFAR1
SCHEMBL5215033 0.85 PPARD (0.58) PPARDPPARGPPARAPTPN1FFAR1
SCHEMBL5215031 0.85 PPARD (0.58) PPARDPPARGPPARAPTPN1FFAR1
SCHEMBL5850595 0.81 PPARG (0.51) PPARDPPARGPPARAPTPN1CYP2C9
SCHEMBL5219166 0.80 PPARD (0.54) PPARDPPARGPPARAPTPN1
SCHEMBL14432285 0.80 PPARD (0.54) PPARDPPARGPPARAPTPN1
SCHEMBL5219010 0.79 PPARD (0.57) PPARDPPARGPPARAPTPN1FFAR1
SCHEMBL5218331 0.79 PPARD (0.57) PPARDPPARGPPARAPTPN1FFAR1
SCHEMBL5218325 0.79 PPARD (0.57) PPARDPPARGPPARAPTPN1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153878-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-12-26 US disclosed
EP-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 WO disclosed