SCHEMBL28017773

SCHEMBL28017773

c1ccc(-c2cccc3cc(-c4cc(-c5ccccc5)c5c(-c6ccccc6)cccc5c4)cc(-c4ccccc4)c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
HSD17B10 Q99714 5/20 0.46
MAPK1 P28482 4/20 0.46
HPGD P15428 4/20 0.46
TSHR P16473 3/20 0.46
CASP1 P29466 3/20 0.46
CASP7 P55210 2/20 0.46
HIF1A Q16665 2/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
PLK4 O00444 1/20 0.40
MAPK9 P45984 1/20 0.40
LIMK1 P53667 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
AKT3 Q9Y243 1/20 0.40
TNF P01375 1/20 0.40
BACE1 P56817 1/20 0.39

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
SCHEMBL25124635 0.88 CYP1A2 (0.50) ALDH1A1HSD17B10MAPK1HPGDTSHR
SCHEMBL23068382 0.85 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPK1HPGDTSHR
SCHEMBL31107074 0.85 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPK1HPGDTSHR
SCHEMBL25124609 0.84 CYP1A2 (0.45) ALDH1A1HSD17B10MAPK1HPGDTSHR
SCHEMBL10962686 0.84 ALDH1A1 (0.65) ALDH1A1HSD17B10MAPK1HPGDTSHR
SCHEMBL30268605 0.84 ALDH1A1 (0.65) ALDH1A1HSD17B10MAPK1HPGDTSHR
SCHEMBL24133909 0.81 HSD17B1 (0.41) ALDH1A1HSD17B10MAPK1HPGDTSHR
SCHEMBL10015442 0.80 CES1 (0.57) ALDH1A1HSD17B10MAPK1HPGDTSHR
SCHEMBL21131640 0.79 MEN1 (0.49) ALDH1A1MAPK1HPGDKDM4EMEN1
SCHEMBL5998053 0.77 TYMS (0.60) L3MBTL1ATMMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104703744-A Welding arc apparel with UV activated or thermochromic activated images LINCOLN GLOBAL INC 2015-06-10 CN disclosed