SCHEMBL9979694

SCHEMBL9979694

CCOC(=O)CC1CCc2cc(CCc3cccc4c3CN(c3ccc(OC(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.41
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
LIPE Q05469 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
PLA2G4A P47712 1/20 0.33

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
SCHEMBL9979691 0.91 CYP11B1 (0.40) PPARAPPARGPPARDCYP11B1CYP11B2
SCHEMBL9979693 0.90 PPARD (0.51) PPARAPPARGPPARDPLA2G4A
SCHEMBL9979570 0.90 ALDH1A1 (0.38) PPARAPPARGPPARDCYP11B1CYP11B2
SCHEMBL9979501 0.89 PPARD (0.47) PPARAPPARGPPARDCYP11B1CYP11B2
SCHEMBL9979507 0.89 PPARD (0.47) PPARAPPARGPPARDCYP11B1CYP11B2
SCHEMBL9979705 0.85 PPARD (0.42) PPARAPPARGPPARDCYP11B1CYP11B2
SCHEMBL9979476 0.84 PPARD (0.50) PPARAPPARGPPARD
SCHEMBL9979609 0.84 PPARA (0.41) PPARAPPARGPPARDCYP11B1CYP11B2
SCHEMBL9979487 0.83 PPARD (0.53) PPARAPPARGPPARD
SCHEMBL9979485 0.82 PPARD (0.47) PPARAPPARGPPARDCYP11B1CYP11B2

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