SCHEMBL9979654

SCHEMBL9979654

CCOC(=O)Cn1ccc2cc(OCCCOc3cccc4c3CN(c3ccc(OC(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.40
PPARD Q03181 12/20 0.40
PPARA Q07869 12/20 0.40
NR5A1 Q13285 1/20 0.36
UGCG Q16739 2/20 0.35
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL9979508 0.98 PPARD (0.38) PPARGPPARDPPARANR5A1UGCG
SCHEMBL9979468 0.91 PPARD (0.45) PPARGPPARDPPARAUGCG
SCHEMBL9979701 0.90 PPARG (0.49) PPARGPPARDPPARA
SCHEMBL9979611 0.88 PPARD (0.46) PPARGPPARDPPARA
SCHEMBL9979472 0.85 GCGR (0.34) PPARGPPARDPPARANR5A1UGCG
SCHEMBL9979687 0.83 PPARD (0.56) PPARGPPARDPPARA
SCHEMBL9979610 0.81 PPARD (0.54) PPARGPPARDPPARAUGCG
SCHEMBL9979504 0.80 PPARD (0.56) PPARGPPARDPPARAUGCG
SCHEMBL9979487 0.79 PPARD (0.53) PPARGPPARDPPARA
SCHEMBL9979476 0.77 PPARD (0.50) PPARGPPARDPPARA

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