SCHEMBL9979709

SCHEMBL9979709

CCOC(=O)COc1ccc(SCc2cccc3c2CN(c2ccc(C(F)(F)F)cc2)C3=O)c2c1CCC2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.50
PPARA Q07869 13/20 0.49
UGCG Q16739 2/20 0.38
PPARG P37231 7/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9979608 0.98 PPARD (0.50) PPARDPPARAUGCGPPARG
SCHEMBL9979712 0.91 ALDH1A1 (0.40) PPARDPPARAUGCGPPARGKDM4E
SCHEMBL9979707 0.91 PPARD (0.48) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL9979515 0.90 PPARD (0.39) PPARDPPARAUGCGPPARGKDM4E
SCHEMBL9979513 0.90 PPARD (0.48) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL9979506 0.88 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL9979708 0.82 PPARD (0.48) PPARDPPARAUGCGPPARGMEN1
SCHEMBL9979629 0.81 PPARD (0.41) PPARDPPARAUGCGPPARG
SCHEMBL9979706 0.81 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL9979632 0.79 PPARD (0.60) PPARDPPARAPPARG

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