SCHEMBL8345877

SCHEMBL8345877

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.69
PTGS2 P35354 4/20 0.69
ESRRG P62508 1/20 0.50
NR5A2 O00482 1/20 0.47
NR5A1 Q13285 1/20 0.47
HIF1A Q16665 4/20 0.41
NAAA Q02083 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NLRP1 Q9C000 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
SCHEMBL8351532 0.99 ALOX5 (0.70) ALOX5PTGS2ESRRGNR5A2NR5A1
SCHEMBL8345875 0.83 ALOX5 (0.69) ALOX5PTGS2ESRRGNR5A2NR5A1
SCHEMBL8349727 0.78 KDM4E (0.58) NAAAGAAALDH1A1NPC1MAPT
SCHEMBL8356175 0.78 ALOX5 (0.52) ALOX5PTGS2HIF1ATSHRHSD17B10
SCHEMBL8350696 0.77 CA12 (0.60) NAAAGAAALDH1A1NPC1MAPT
SCHEMBL8350231 0.77 ESRRG (0.52) ALOX5PTGS2ESRRGNR5A2NR5A1
SCHEMBL3998710 0.76 ALOX5 (0.51) ALOX5PTGS2NR5A2NR5A1HIF1A
SCHEMBL29785796 0.76 ALOX5 (0.51) ALOX5PTGS2NR5A2NR5A1HIF1A
SCHEMBL3998711 0.76 ALOX5 (0.51) ALOX5PTGS2NR5A2NR5A1HIF1A
SCHEMBL29535850 0.76 ALOX5 (0.51) ALOX5PTGS2NR5A2NR5A1HIF1A

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