SCHEMBL9979708

SCHEMBL9979708

Cc1ccc(N2Cc3c(CSc4ccc(OCC(=O)O)c5c4CCC5)cccc3C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.48
PPARG P37231 2/20 0.48
PPARA Q07869 9/20 0.47
UGCG Q16739 2/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37

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
SCHEMBL9979712 0.91 ALDH1A1 (0.40) PPARDPPARGPPARAUGCGALDH1A1
SCHEMBL9979515 0.89 PPARD (0.39) PPARDPPARGPPARAUGCGALDH1A1
SCHEMBL9979706 0.88 PPARD (0.60) PPARDPPARGPPARA
SCHEMBL9979506 0.87 PPARD (0.62) PPARDPPARGPPARA
SCHEMBL9979632 0.86 PPARD (0.60) PPARDPPARGPPARA
SCHEMBL9979709 0.82 PPARD (0.50) PPARDPPARGPPARAUGCGALDH1A1
SCHEMBL9979580 0.82 PKM (0.41) UGCGALDH1A1MAPTMEN1KMT2A
SCHEMBL9979707 0.81 PPARD (0.48) PPARDPPARGPPARAALDH1A1MAPT
SCHEMBL9979608 0.81 PPARD (0.50) PPARDPPARGPPARAUGCG
SCHEMBL9979513 0.80 PPARD (0.48) PPARDPPARGPPARAALDH1A1MAPT

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