SCHEMBL9979609

SCHEMBL9979609

CCOC(=O)CC1CCc2cc(/C=C/c3cccc4c3CN(c3ccc(OC(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.41
PPARD Q03181 6/20 0.41
PPARG P37231 2/20 0.37
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
ESR1 P03372 2/20 0.34
CMA1 P23946 3/20 0.33
LIPE Q05469 2/20 0.33
HSD17B1 P14061 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL9979646 0.91 CYP11B1 (0.40) PPARAPPARDPPARGCYP11B1CYP11B2
SCHEMBL9979498 0.91 PPARD (0.51) PPARAPPARDPPARGESR1
SCHEMBL9979673 0.90 RAB9A (0.36) PPARAPPARDPPARGCYP11B1CYP11B2
SCHEMBL9979507 0.85 PPARD (0.47) PPARAPPARDPPARGCYP11B1CYP11B2
SCHEMBL9979501 0.85 PPARD (0.47) PPARAPPARDPPARGCYP11B1CYP11B2
SCHEMBL9979476 0.84 PPARD (0.50) PPARAPPARDPPARG
SCHEMBL9979694 0.84 PPARA (0.41) PPARAPPARDPPARGCYP11B1CYP11B2
SCHEMBL9979487 0.83 PPARD (0.53) PPARAPPARDPPARG
SCHEMBL9979579 0.81 PPARD (0.41) PPARAPPARDPPARG
SCHEMBL9979674 0.81 PPARD (0.47) PPARAPPARDPPARG

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