SCHEMBL8345875

SCHEMBL8345875

CC(C)(C)c1cc(C=N[Mn])c(O)c(C(C)(C)C)c1.CCNC(=O)c1ccccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.69
PTGS2 P35354 4/20 0.69
NR5A2 O00482 1/20 0.45
NR5A1 Q13285 1/20 0.45
ESRRG P62508 1/20 0.45
HIF1A Q16665 4/20 0.41
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
NAAA Q02083 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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 0.84 ALOX5 (0.70) ALOX5PTGS2NR5A2NR5A1ESRRG
SCHEMBL8345877 0.83 ALOX5 (0.69) ALOX5PTGS2NR5A2NR5A1ESRRG
SCHEMBL8350227 0.80 ALOX5 (0.50) ALOX5PTGS2NR5A2NR5A1ESRRG
SCHEMBL8349725 0.79 KDM4E (0.57) CA1CA9KDM4EGAANAAA
SCHEMBL27348030 0.74 NR5A2 (0.74) ALOX5PTGS2NR5A2NR5A1ESRRG
SCHEMBL8349878 0.73 NTRK1 (0.48) HIF1ACA1CA9KDM4EMGAM
SCHEMBL8345459 0.73 KMT2A (0.51) KDM4EGAAMEN1ALDH1A1LMNA
SCHEMBL8343445 0.72 MAPT (0.53) CA1CA9KDM4EGAAMEN1
SCHEMBL1797745 0.72 CA1 (0.68) ESRRGHIF1ACA1CA9KDM4E
SCHEMBL8345691 0.71 ESRRG (0.53) ALOX5PTGS2NR5A2NR5A1ESRRG

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