SCHEMBL9979712

SCHEMBL9979712

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PPARD Q03181 7/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 4/20 0.38
UGCG Q16739 1/20 0.38
LMNA P02545 4/20 0.38
PKM P14618 1/20 0.38
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
CASP3 P42574 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
SCHEMBL9979515 0.98 PPARD (0.39) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL9979709 0.91 PPARD (0.50) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL9979708 0.91 PPARD (0.48) ALDH1A1MAPTMEN1KMT2APPARD
SCHEMBL9979707 0.90 PPARD (0.48) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL9979608 0.90 PPARD (0.50) PPARDPPARGPPARAUGCG
SCHEMBL9979513 0.89 PPARD (0.48) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL9979580 0.80 PKM (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9979706 0.79 PPARD (0.60) PPARDPPARGPPARA
SCHEMBL9979506 0.79 PPARD (0.62) PPARDPPARGPPARA
SCHEMBL9979632 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