SCHEMBL10029671

SCHEMBL10029671

c1ccc(-c2cccc(-c3ccccc3)c2P(c2c(-c3ccccc3)cccc2-c2ccccc2)c2c(-c3ccccc3)cccc2-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.52
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
BCL2L1 Q07817 1/20 0.46
MAPK1 P28482 1/20 0.46
BACE1 P56817 1/20 0.42
DPP4 P27487 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
HNF4A P41235 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTR6 P50406 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
BCAT2 O15382 1/20 0.38
LIMK1 P53667 2/20 0.38
CLK4 Q9HAZ1 2/20 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
SCHEMBL21333875 0.87 TDP1 (0.50) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL1768461 0.75 TDP1 (0.42) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL2361430 0.75 ALDH1A1 (0.61) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL21447 0.75 ALDH1A1 (0.61) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL31290744 0.75 ALDH1A1 (0.53) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
Benzene SCHEMBL28035419 0.75 ALDH1A1 (0.61) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL2391683 0.73 ALDH1A1 (0.52) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL6292080 0.72 ALDH1A1 (0.46) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
Water SCHEMBL9138909 0.72 ALDH1A1 (0.58) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL13387362 0.72 ALDH1A1 (0.58) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1

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-8206839-B2 Light-emitting layer between electrodes including luminescent material, e.g.,bis(m-triphenylsilyl)phenyl)carbonyl; excited triplet energy levels of the compounds is 65-95 kcal/mol; glass transition temperature 130-400 degrees C.; low driving voltage; durability; efficiency; displays; optics; dyes FUJIFILM CORPORATION (JP) 2012-06-26 US disclosed
US-8206839-B2 Light-emitting layer between electrodes including luminescent material, e.g.,bis(m-triphenylsilyl)phenyl)carbonyl; excited triplet energy levels of the compounds is 65-95 kcal/mol; glass transition temperature 130-400 degrees C.; low driving voltage; durability; efficiency; displays; optics; dyes FUJIFILM CORPORATION (JP) 2012-06-26 US disclosed
US-20070077453-A1 Organic electroluminescent element FUJIFILM CORPORATION 2007-04-05 US disclosed
US-20070077453-A1 Organic electroluminescent element FUJIFILM CORPORATION 2007-04-05 US disclosed