SCHEMBL12177160

SCHEMBL12177160

COc1cccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.70
▸ ENPP2 Q13822 5/20 0.62
▸ AKR1B1 P15121 2/20 0.57
▸ PTPN1 P18031 4/20 0.57
▸ ACP1 P24666 4/20 0.57
▸ PTPRF P10586 2/20 0.57
▸ PTPN2 P17706 2/20 0.57
▸ PTPRB P23467 2/20 0.57
▸ CISD1 Q9NZ45 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL12177161 0.94 PPARG (0.64) PPARGENPP2AKR1B1PTPN1ACP1
SCHEMBL12177385 0.90 ENPP2 (0.71) PPARGENPP2PTPN1ACP1PTPRF
SCHEMBL12177549 0.90 PPARG (0.64) PPARGENPP2AKR1B1PTPN1ACP1
SCHEMBL12177684 0.89 ENPP2 (0.67) PPARGENPP2AKR1B1PTPN1ACP1
SCHEMBL12177758 0.87 PPARG (0.82) PPARGENPP2AKR1B1PTPN1ACP1
SCHEMBL12177484 0.87 PPARG (0.55) PPARGENPP2AKR1B1PTPN1ACP1
SCHEMBL12177416 0.86 PTPN1 (0.60) PPARGENPP2AKR1B1PTPN1ACP1
SCHEMBL12177353 0.85 PIM1 (0.59) PPARGENPP2AKR1B1PTPN1ACP1
SCHEMBL12177568 0.84 MAPK1 (0.66) PPARGENPP2PTPN1ACP1PTPRF
SCHEMBL12177136 0.84 CISD1 (0.56) PPARGAKR1B1PTPN1CISD1

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
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