SCHEMBL9979707

SCHEMBL9979707

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.48
PPARA Q07869 9/20 0.48
PPARG P37231 2/20 0.39
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL9979513 0.98 PPARD (0.48) PPARDPPARAPPARGKDM4EHPGD
SCHEMBL9979709 0.91 PPARD (0.50) PPARDPPARAPPARGKDM4EHPGD
SCHEMBL9979706 0.90 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL9979712 0.90 ALDH1A1 (0.40) PPARDPPARAPPARGKDM4EHPGD
SCHEMBL9979608 0.90 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL9979632 0.89 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL9979515 0.89 PPARD (0.39) PPARDPPARAPPARGKDM4EHPGD
SCHEMBL9979708 0.81 PPARD (0.48) PPARDPPARAPPARGALDH1A1MEN1
SCHEMBL9979506 0.79 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL9979616 0.77 FFAR4 (0.38)

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