SCHEMBL8624869

SCHEMBL8624869

c1ccc2c(OB(Oc3cccc4ccccc34)c3cccc4ccccc34)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
PGR P06401 1/20 0.43
GAA P10253 1/20 0.43
PTGS1 P23219 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR1B P28222 7/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KCNA3 P22001 1/20 0.41
HPGD P15428 1/20 0.41
HTR1D P28221 1/20 0.40
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 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
SCHEMBL14719616 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL5952980 0.80 KCNA3 (0.41) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL3840461 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL17333246 0.75 ALDH1A1 (0.50) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL5952337 0.75 ALDH1A1 (0.43) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL17333244 0.75 KMT2A (0.53) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL1208635 0.75 ALDH1A1 (0.50) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL29405949 0.75 ALDH1A1 (0.50) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL4918884 0.73 ALDH1A1 (0.49) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL28694633 0.73 ALDH1A1 (0.49) ALDH1A1HSD17B10PGRGAAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626016-B1 CHEMILUMINESCENT ENHANCERS BRITISH TECH GROUP (GB) 1998-06-03 EP disclosed
EP-0626016-A1 CHEMILUMINESCENT ENHANCERS BTG INTERNATIONAL LIMITED (GB) 1994-11-30 EP disclosed
WO-1993016195-A1 CHEMILUMINESCENT ENHANCERS BRITISH TECHNOLOGY GROUP LTD. (GB) 1993-08-19 WO disclosed