SCHEMBL6507734

SCHEMBL6507734

COC(=O)C(Cc1ccc(O)cc1)C(C)=NOCc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
STAT1 P42224 1/20 0.42
RAB9A P51151 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MAOB P27338 6/20 0.41
MAOA P21397 2/20 0.41
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40
MIF P14174 2/20 0.40
ACACB O00763 1/20 0.40
SCN9A Q15858 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL6506105 0.88 PPARG (0.46) PPARGPPARAESR1ESR2MIF
SCHEMBL6504116 0.86 MIF (0.50) PPARGPPARAESR1ESR2MDM4
SCHEMBL6504111 0.86 MIF (0.50) PPARGPPARAESR1ESR2MDM4
SCHEMBL6510871 0.85 PPARG (0.51) PPARGPPARAMAOB
SCHEMBL6533647 0.84 MIF (0.41) PPARGPPARAESR1ESR2MAOB
SCHEMBL6505172 0.82 ESR1 (0.47) PPARGPPARAESR1ESR2MDM4
SCHEMBL6510664 0.81 ESR1 (0.46) PPARGPPARARAB9AESR1ESR2
SCHEMBL6507933 0.80 ESR1 (0.50) PPARGPPARAESR1ESR2MDM4
SCHEMBL6510040 0.80 ESR1 (0.50) PPARGPPARAESR1ESR2MDM4
SCHEMBL6509594 0.79 ESR1 (0.47) PPARGPPARAESR1ESR2MDM4

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