SCHEMBL8524050

SCHEMBL8524050

COc1ccc(N(c2ccc(CCCCC(=O)OCc3ccccc3)cc2)S(=O)(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
FFAR1 O14842 1/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
MMP3 P08254 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL31329294 0.84 ALDH1A1 (0.61) ALOX5L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL305162 0.79 MAPT (0.68) ALOX5L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL26023562 0.79 MAPT (0.68) ALOX5L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL15164337 0.79 ALOX5 (0.60) ALOX5L3MBTL1ALDH1A1MAPTRECQL
SCHEMBL19007852 0.77 ALDH1A1 (0.59) ALOX5L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL18381104 0.77 ALDH1A1 (0.54) ALOX5L3MBTL1ALDH1A1KMT2AFFAR1
SCHEMBL19007857 0.76 MAPT (0.62) ALOX5L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL18381100 0.76 ALDH1A1 (0.53) ALOX5L3MBTL1ALDH1A1KMT2AFFAR1
SCHEMBL7561236 0.75 KEAP1 (0.48) TDP1ALDH1A1MAPTKMT2ANPC1
SCHEMBL9407993 0.75 TDP1 (0.49) ALOX5L3MBTL1TDP1ALDH1A1MAPT

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
US-6002007-A Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 1999-12-14 US disclosed