SCHEMBL7165482

SCHEMBL7165482

CCCCCc1cccc2c1=c1ccccc1=2.OP(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.49
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
PPARA Q07869 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARG P37231 2/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
CYSLTR2 Q9NS75 4/20 0.38

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
SCHEMBL28390493 0.91 LIPG (0.53) LIPGALOX5PTGS2BIDMCL1
SCHEMBL11136888 0.91 LIPG (0.53) LIPGALOX5PTGS2BIDMCL1
SCHEMBL27554686 0.88 LIPG (0.43) LIPGALOX5PTGS2BIDMCL1
SCHEMBL28983653 0.75 LIPG (0.55) LIPGALOX5PTGS2BIDMCL1
SCHEMBL5873329 0.74 LIPG (0.58) LIPGALOX5BIDMCL1PPARA
SCHEMBL2803228 0.74 LIPG (0.58) LIPGALOX5BIDMCL1PPARA
SCHEMBL28336811 0.74 LIPG (0.58) LIPGALOX5BIDMCL1PPARA
SCHEMBL8384258 0.74 LIPG (0.58) LIPGALOX5BIDMCL1PPARA
SCHEMBL11358479 0.74 LIPG (0.58) LIPGALOX5BIDMCL1PPARA
SCHEMBL20656620 0.73 LIPG (0.45) LIPGALOX5NR1H2NR1H3CYSLTR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579997-B1 Enhanced activity of metal complexes UAB RESEARCH FOUNDATION 2003-06-17 US disclosed
EP-1212134-A4 METALLACROWN ETHER CATALYSTS FOR HYDROFORMYLATION UAB RESEARCH FOUNDATION (US) 2003-01-22 EP disclosed
EP-1212134-A1 METALLACROWN ETHER CATALYSTS FOR HYDROFORMYLATION UAB Research Foundation (US) 2002-06-12 EP disclosed
WO-2001007156-A1 METALLACROWN ETHER CATALYSTS FOR HYDROFORMYLATION UAB RESEARCH FOUNDATION (US) 2001-02-01 WO disclosed