SCHEMBL27680873

SCHEMBL27680873

c1ccc(-c2ccc3c(c2-c2ccccc2)-c2c(-c4cccc5cc6ccccc6cc45)c(-c4ccccc4)cc4cccc-3c24)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.42
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
CASP1 P29466 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
CASP7 P55210 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALOX5 P09917 2/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
GPR84 Q9NQS5 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4667935 0.92 CES1 (0.40) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL2138002 0.86 CES1 (0.43) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL4939013 0.80 CES1 (0.46) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL4668585 0.80 ESR1 (0.37) CES1ALDH1A1HPGDMEN1KMT2A
SCHEMBL28467642 0.79 ESR1 (0.43) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL29268744 0.78 CES1 (0.44) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL2346874 0.78 ALDH1A1 (0.53) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL28917028 0.78 ALDH1A1 (0.41) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL14150465 0.76 CES1 (0.40) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL1923716 0.76 ALDH1A1 (0.45) CES1ALDH1A1HPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101297413-B Organic white light emitting diodes (OLED) based on exciplex of two blue-emitting fluorescent compounds BASF SE 2010-07-28 CN claimed
CN-101297413-A Organic white light emitting diodes (OLED) based on exciplex of two blue-emitting fluorescent compounds BASF SE (DE) 2008-10-29 CN claimed
CN-101297413-B Organic white light emitting diodes (OLED) based on exciplex of two blue-emitting fluorescent compounds BASF SE 2010-07-28 CN disclosed
CN-1874979-B Synthesis of phenyl-substituted fluoranthenes by a Diesel-Alder reaction and the use thereof BASF AG 2010-05-26 CN disclosed
CN-101297413-A Organic white light emitting diodes (OLED) based on exciplex of two blue-emitting fluorescent compounds BASF SE (DE) 2008-10-29 CN disclosed
CN-1874979-A Synthesis of phenyl-substituted fluoranthenes by a Diesel-Alder reaction and the use thereof BASF AG (DE) 2006-12-06 CN disclosed