SCHEMBL8350231

SCHEMBL8350231

CC(C)(C)c1cc(CNCCNC(=O)c2ccccc2O)c(O)c(C(C)(C)C)c1.[Mn]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.52
ALOX5 P09917 3/20 0.51
PTGS2 P35354 3/20 0.51
NR5A2 O00482 1/20 0.49
NR5A1 Q13285 1/20 0.49
NAAA Q02083 1/20 0.43
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NLRP1 Q9C000 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
PSMB8 P28062 1/20 0.39
PSMB5 P28074 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL8345691 0.99 ESRRG (0.53) ESRRGALOX5PTGS2NR5A2NR5A1
SCHEMBL8350227 0.82 ALOX5 (0.50) ESRRGALOX5PTGS2NR5A2NR5A1
SCHEMBL6053408 0.79 GSR (0.50) NR5A2NR5A1ALDH1A1MAPTTSHR
SCHEMBL8347813 0.77 CA12 (0.64) NAAANPC1ALDH1A1MAPTHPGD
SCHEMBL8345877 0.77 ALOX5 (0.69) ESRRGALOX5PTGS2NR5A2NR5A1
SCHEMBL8344108 0.76 CA12 (0.66) NAAANPC1ALDH1A1MAPTHPGD
SCHEMBL8351532 0.75 ALOX5 (0.70) ESRRGALOX5PTGS2NR5A2NR5A1
SCHEMBL6053706 0.74 GSR (0.47) NR5A2NR5A1ALDH1A1TSHRHTT
SCHEMBL31043275 0.74 ALDH1A1 (0.47) NR5A2NR5A1ALDH1A1MAPTTSHR
SCHEMBL7933905 0.73 GSR (0.62) NR5A2NR5A1ALDH1A1MAPTHPGD

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-5969171-A Metal complexes as bleach activators CLARIANT GMBH (DE) 1999-10-19 US disclosed