SCHEMBL6151130

SCHEMBL6151130

Cc1cc(OCC(C)c2cn(-c3ccc(Cl)cc3)nc2C)ccc1OC(C)(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.42
PPARD Q03181 15/20 0.42
PPARG P37231 7/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE5A O76074 1/20 0.38
MAP4K4 O95819 1/20 0.38
KCNH2 Q12809 1/20 0.38
MINK1 Q8N4C8 1/20 0.38

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
SCHEMBL5904797 0.93 PPARA (0.41) PPARAPPARDPPARG
SCHEMBL5904727 0.91 PPARA (0.41) PPARAPPARDPPARG
SCHEMBL5904751 0.83 PPARD (0.46) PPARAPPARDPPARG
SCHEMBL5904883 0.81 PPARD (0.49) PPARAPPARDPPARG
SCHEMBL5904746 0.79 PPARD (0.49) PPARAPPARDPPARG
SCHEMBL5904800 0.78 PPARD (0.49) PPARAPPARDPPARG
SCHEMBL5904911 0.77 PPARA (0.42) PPARAPPARDPPARG
SCHEMBL5904752 0.77 PPARD (0.59) PPARAPPARD
SCHEMBL5904593 0.77 PPARD (0.59) PPARAPPARD
SCHEMBL5904598 0.77 PPARD (0.59) PPARAPPARD

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-1585733-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063166-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed