SCHEMBL4667935

SCHEMBL4667935

c1ccc(-c2ccc3c(c2-c2ccccc2)-c2c(-c4ccc5cc6ccccc6cc5c4-c4c(-c5ccccc5)cc5cccc6c5c4-c4c-6ccc(-c5ccccc5)c4-c4ccccc4)c(-c4ccccc4)cc4cccc-3c24)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.40
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
CASP1 P29466 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
CASP7 P55210 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 2/20 0.34
ANPEP P15144 1/20 0.33
RECQL P46063 1/20 0.33
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
CYP1A2 P05177 2/20 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
SCHEMBL27680873 0.92 CES1 (0.42) CES1MEN1KMT2AALDH1A1HPGD
SCHEMBL4939013 0.84 CES1 (0.46) CES1MEN1KMT2AALDH1A1HPGD
SCHEMBL2138002 0.84 CES1 (0.43) CES1MEN1KMT2AALDH1A1HPGD
SCHEMBL29268744 0.81 CES1 (0.44) CES1MEN1KMT2AALDH1A1HPGD
SCHEMBL14150465 0.80 CES1 (0.40) CES1MEN1KMT2AALDH1A1HPGD
SCHEMBL30332664 0.79 CES1 (0.44) CES1MEN1KMT2AALDH1A1HPGD
SCHEMBL4854951 0.77 CES1 (0.60) CES1MEN1KMT2AALDH1A1HPGD
SCHEMBL30103712 0.77 CES1 (0.45) CES1MEN1KMT2AALDH1A1HPGD
SCHEMBL31254074 0.77 ESR1 (0.46) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL30661015 0.77 ESR1 (0.46) MEN1KMT2AALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1920478-A2 WHITE ORGANIC ILLUMINATING DIODES (OLEDS) BASED ON EXCIPLEX DOUBLE BLUE FLUORESCENT COMPOUNDS BASF SE (DE) 2008-05-14 EP claimed
WO-2007039344-A2 WHITE ORGANIC ILLUMINATING DIODES (OLEDS) BASED ON EXCIPLEX DOUBLE BLUE FLUORESCENT COMPOUNDS BASF SE (DE) 2007-04-12 WO claimed