SCHEMBL9979501

SCHEMBL9979501

CCOC(=O)CC1CCc2cc(OCc3cccc4c3CN(c3ccc(OC(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.47
PPARA Q07869 7/20 0.47
PPARG P37231 2/20 0.42
FFAR1 O14842 1/20 0.39
CD274 Q9NZQ7 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL9979507 1.00 PPARD (0.47) PPARDPPARAPPARGFFAR1CD274
SCHEMBL9979705 0.96 PPARD (0.42) PPARDPPARAPPARGFFAR1CD274
SCHEMBL9979638 0.93 PPARD (0.47) PPARDPPARAPPARGFFAR1CYP11B1
SCHEMBL9979485 0.93 PPARD (0.47) PPARDPPARAPPARGFFAR1CYP11B1
SCHEMBL9979690 0.92 PPARD (0.43) PPARDPPARAPPARGFFAR1CD274
SCHEMBL9979572 0.92 PPARD (0.43) PPARDPPARAPPARGFFAR1CD274
SCHEMBL9979502 0.90 PPARD (0.41) PPARDPPARAPPARGFFAR1CD274
SCHEMBL9979512 0.90 PPARD (0.41) PPARDPPARAPPARGFFAR1CD274
SCHEMBL9979688 0.90 PPARD (0.59) PPARDPPARAPPARGFFAR1
SCHEMBL9979463 0.90 PPARD (0.59) PPARDPPARAPPARGFFAR1

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