SCHEMBL9979515

SCHEMBL9979515

CCOC(=O)COc1ccc(SCc2cccc3c2CN(c2ccc(C)cc2)C3=O)c2c1CCCC2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 4/20 0.38
ALDH1A1 P00352 8/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
UGCG Q16739 1/20 0.38
LMNA P02545 5/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.37
CASP3 P42574 1/20 0.36
HTT P42858 2/20 0.36
POLB P06746 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
SCHEMBL9979712 0.98 ALDH1A1 (0.40) PPARDPPARGPPARAALDH1A1MAPT
SCHEMBL9979608 0.91 PPARD (0.50) PPARDPPARGPPARAUGCG
SCHEMBL9979513 0.90 PPARD (0.48) PPARDPPARGPPARAALDH1A1MAPT
SCHEMBL9979709 0.90 PPARD (0.50) PPARDPPARGPPARAALDH1A1MAPT
SCHEMBL9979708 0.89 PPARD (0.48) PPARDPPARGPPARAALDH1A1MAPT
SCHEMBL9979707 0.89 PPARD (0.48) PPARDPPARGPPARAALDH1A1MAPT
SCHEMBL9979580 0.81 PKM (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9979506 0.80 PPARD (0.62) PPARDPPARGPPARA
SCHEMBL9979632 0.79 PPARD (0.60) PPARDPPARGPPARA
SCHEMBL9979706 0.77 PPARD (0.60) PPARDPPARGPPARA

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