SCHEMBL7993192

SCHEMBL7993192

CC(C)(C)OC(=O)NS(=O)(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.48
FFAR4 Q5NUL3 1/20 0.47
BCL2 P10415 1/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL18487588 0.96 FFAR4 (0.50) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL20047462 0.86 PPARA (0.47) BCL2CA12CA1CA2CA9
SCHEMBL3078388 0.85 STS (0.55) CA12CA1CA2CA9CA14
SCHEMBL26282685 0.83 FFAR4 (0.54) KIF11FFAR4HDAC1HDAC8HDAC3
SCHEMBL29098422 0.82 FFAR4 (0.52) KIF11FFAR4HDAC1HDAC8HDAC3
SCHEMBL12550112 0.82 BCL2 (0.54) BCL2CA12CA1CA2CA9
SCHEMBL27802292 0.81 FBP1 (0.52) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL7378889 0.80 STS (0.58) CA12CA1CA2CA9CA14
SCHEMBL19627393 0.79 FFAR4 (0.52) KIF11FFAR4HDAC1HDAC8HDAC3
SCHEMBL1952655 0.79 MMP1 (0.48) HDAC1HDAC8HDAC3HDAC4HDAC7

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-6288261-B1 DRUGS FOR INHIBITION OF ENZYMES ABBOTT LABORATORIES 2001-09-11 US disclosed