SCHEMBL5651928

SCHEMBL5651928

c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccccc3)c3ccc4c(-c5ccccc5-c5ccccc5)cc(-c5ccccc5-c5ccccc5)c5ccc2c3c54)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 6/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 2/20 0.41
BCL2L1 Q07817 1/20 0.41
CYP2A6 P11509 1/20 0.41
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PTGS2 P35354 1/20 0.38
PARP1 P09874 1/20 0.38
APAF1 O14727 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
XBP1 P17861 1/20 0.38
PTBP1 P26599 1/20 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
SCHEMBL260886 0.87 BACE1 (0.48) BACE1ALDH1A1HPGDHSD17B10MAPK1
SCHEMBL13251083 0.87 PTGS2 (0.42) HPGDMAPTPTGS2
SCHEMBL13250970 0.87 PTGS2 (0.42) HPGDMAPTPTGS2
SCHEMBL4927076 0.86 ALDH1A1 (0.48) BACE1ALDH1A1HPGDHSD17B10MAPK1
SCHEMBL4584768 0.85 BACE1 (0.46) BACE1ALDH1A1HPGDHSD17B10MAPK1
SCHEMBL13192419 0.84 ESR2 (0.46) ALDH1A1HPGDATMNPSR1KDM4E
SCHEMBL3419780 0.83 ALDH1A1 (0.45) BACE1ALDH1A1HPGDHSD17B10MAPK1
SCHEMBL1003359 0.83 ALDH1A1 (0.45) BACE1ALDH1A1HPGDHSD17B10MAPK1
SCHEMBL14498837 0.82 L3MBTL1 (0.39) ALDH1A1MEN1MAPTKMT2AHTT
SCHEMBL14498840 0.82 ALOX5AP (0.33) MEN1MAPTKMT2AHTTSMN1; SMN2

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
US-7232619-B2 Pyrene derivative, light emitting element, and light emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-06-19 US disclosed
US-20050079385-A1 Pyrene derivative, light emitting element, and light emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2005-04-14 US disclosed