SCHEMBL9979558

SCHEMBL9979558

CCOC(=O)CC1CCc2cc(OS(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.53
PPARA Q07869 5/20 0.50
DRD2 P14416 1/20 0.46
HTR1D P28221 1/20 0.46
DRD3 P35462 1/20 0.46
FFAR1 O14842 1/20 0.44

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
SCHEMBL4760401 0.94 PPARD (0.46) PPARDPPARADRD2HTR1DDRD3
SCHEMBL14061800 0.86 CYP24A1 (0.48) DRD2HTR1DDRD3
SCHEMBL3947555 0.86 PPARD (0.65) PPARDPPARAFFAR1
SCHEMBL821443 0.83 PPARD (0.60) PPARDPPARA
SCHEMBL12035617 0.83 PPARD (0.60) PPARDPPARA
SCHEMBL821099 0.83 PPARD (0.60) PPARDPPARA
SCHEMBL8327308 0.82 KMT2A (0.45) PPARDDRD2HTR1DDRD3
SCHEMBL3962243 0.80 PPARD (0.48) PPARDPPARAFFAR1
SCHEMBL3969570 0.80 PPARD (0.52) PPARDPPARAFFAR1
SCHEMBL12798817 0.80 PPARD (0.64) PPARDPPARA

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
WO-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed