SCHEMBL12177686

SCHEMBL12177686

COc1cccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)s2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.56
▸ ENPP2 Q13822 2/20 0.51
▸ AKR1B1 P15121 1/20 0.50
▸ PTPN22 Q9Y2R2 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CISD1 Q9NZ45 1/20 0.48

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
SCHEMBL12177767 0.94 PPARG (0.54) PPARGAKR1B1PTPN22CISD1
SCHEMBL12177143 0.91 PPARG (0.59) PPARGENPP2ALDH1A1
SCHEMBL12177152 0.88 PPARG (0.60) PPARGENPP2PTPN22ALDH1A1
SCHEMBL12177531 0.85 PPARG (0.54) PPARGENPP2PTPN22ALDH1A1
SCHEMBL12177740 0.85 ENPP2 (0.55) PPARGENPP2PTPN22
SCHEMBL12177762 0.85 CISD1 (0.49) PPARGAKR1B1PTPN22ALDH1A1CISD1
SCHEMBL12177484 0.85 PPARG (0.55) PPARGENPP2AKR1B1ALDH1A1MEN1
SCHEMBL12177160 0.84 PPARG (0.70) PPARGENPP2AKR1B1CISD1
SCHEMBL12177427 0.83 PPARG (0.67) PPARGENPP2PTPN22ALDH1A1MEN1
SCHEMBL12177764 0.83 PPARG (0.44) PPARGAKR1B1PTPN22ALDH1A1MEN1

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-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 — — WO disclosed
Send feedback