SCHEMBL6017241

SCHEMBL6017241

Cc1nc(-c2ccc(C(F)(F)F)cc2)ccc1CCOc1cccc2[nH]c[c]c12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
PPARD Q03181 2/20 0.34
PDE2A O00408 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MAP4K1 Q92918 1/20 0.32
LTB4R Q15722 2/20 0.32
KDM1A O60341 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MCL1 Q07820 1/20 0.32
TRPV3 Q8NET8 1/20 0.31

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
SCHEMBL5617095 0.78 KDM4E (0.40) PPARGPPARAPPARDTRPV1LTB4R
SCHEMBL6017182 0.75 PKM (0.40) PPARGPPARAPPARDTRPV1L3MBTL1
SCHEMBL4424891 0.71 PPARG (0.50) PPARGPPARAPPARDLTB4R
SCHEMBL6028635 0.70 PPARG (0.51) PPARGPPARAPPARDMCL1
SCHEMBL4432117 0.69 PPARG (0.50) PPARGPPARAPPARDL3MBTL1
SCHEMBL5669635 0.69 TRPV3 (0.38) KDM1ATRPV3
SCHEMBL1549656 0.68 TRPV3 (0.45) TRPV3
SCHEMBL1549173 0.68 TRPV3 (0.40) KDM1ATRPV3
SCHEMBL6017246 0.68 PPARG (0.43) PPARGPPARAPPARD
SCHEMBL1549836 0.68 TRPV3 (0.38) KDM1ATRPV3

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-1682535-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049606-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed