SCHEMBL8953770

SCHEMBL8953770

CC(=O)N(C)c1ccc(Sc2cccc(C(=NO)C3CCOCC3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.41
PIP5K1C O60331 1/20 0.37
MGLL Q99685 7/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8953786 0.87 ALOX5 (0.44) ALOX5PIP5K1CMGLLMEN1KMT2A
SCHEMBL8953688 0.86 SIRT2 (0.33) ALOX5PIP5K1CLMNAGAAMEN1
SCHEMBL8953797 0.86 SIRT2 (0.33) ALOX5PIP5K1CLMNAGAAMEN1
SCHEMBL8953794 0.80 PPARA (0.38) PIP5K1CHDAC1HDAC8HDAC6LMNA
SCHEMBL8953702 0.79 MAOB (0.43) GAAKMT2AALDH1A1
SCHEMBL8953777 0.79 MAOB (0.43) GAAKMT2AALDH1A1
SCHEMBL8953842 0.75 ALOX5 (0.35) ALOX5PIP5K1C
SCHEMBL8953763 0.75 ALOX5 (0.43) ALOX5PIP5K1CMGLLHDAC3HDAC4
SCHEMBL8953766 0.75 ALOX5 (0.43) ALOX5PIP5K1CMGLLHDAC3HDAC4
SCHEMBL8953605 0.73 SIRT2 (0.37) ALOX5PIP5K1CMGLLLMNAMEN1

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-5484786-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-16 US disclosed