SCHEMBL6504116

SCHEMBL6504116

COC(=O)C(Cc1ccc(O)cc1)C(C)=NOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.50
PPARG P37231 8/20 0.47
PPARA Q07869 6/20 0.47
TSHR P16473 1/20 0.47
MDM4 O15151 1/20 0.47
MDM2 Q00987 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
LTA4H P09960 1/20 0.44
PPARD Q03181 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ELANE P08246 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL6504111 1.00 MIF (0.50) MIFPPARGPPARATSHRMDM4
SCHEMBL6505172 0.90 ESR1 (0.47) MIFPPARGPPARATSHRMDM4
SCHEMBL6510664 0.89 ESR1 (0.46) MIFPPARGPPARATSHRMDM4
SCHEMBL6506105 0.89 PPARG (0.46) MIFPPARGPPARATSHRESR1
SCHEMBL6507734 0.86 PPARG (0.43) MIFPPARGPPARAMDM4MDM2
SCHEMBL6510040 0.86 ESR1 (0.50) MIFPPARGPPARATSHRMDM4
SCHEMBL6507933 0.86 ESR1 (0.50) MIFPPARGPPARATSHRMDM4
SCHEMBL6506595 0.84 PPARG (0.52) PPARGPPARALTA4HPPARD
SCHEMBL6506592 0.84 PPARG (0.52) PPARGPPARALTA4HPPARD
SCHEMBL5798926 0.84 ESR1 (0.54) MIFPPARGPPARATSHRMDM4

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-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed