SCHEMBL4964033

SCHEMBL4964033

O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OS(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
HSD11B1 P28845 2/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 3/20 0.35
POLB P06746 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL4964420 0.95 CA1 (0.45) HDAC1HDAC7HDAC8HDAC6HDAC3
SCHEMBL4962506 0.95 CA1 (0.45) HDAC1HDAC7HDAC8HDAC6HDAC3
SCHEMBL4962907 0.95 CA1 (0.45) HDAC1HDAC7HDAC8HDAC6HDAC3
SCHEMBL4962467 0.95 CA1 (0.45) HDAC1HDAC7HDAC8HDAC6HDAC3
SCHEMBL1573977 0.93 CA1 (0.43) HDAC1HDAC7HDAC8HDAC6HDAC3
SCHEMBL545781 0.91 HSD11B1 (0.38) CA1CA2HSD11B1GAAL3MBTL1
SCHEMBL4967080 0.91 HSD11B1 (0.39) HSD11B1GAAL3MBTL1TSHRPOLB
SCHEMBL6656491 0.87 HSD11B1 (0.40) HSD11B1GAAL3MBTL1TSHRPOLB
SCHEMBL4965786 0.87 CA2 (0.42) HDAC1HDAC7HDAC8CA1CA2
SCHEMBL4961881 0.87 CA2 (0.42) HDAC1HDAC7HDAC8CA1CA2

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
EP-1314725-B1 SULFONIUM SALT COMPOUND WAKO PURE CHEM IND LTD (JP) 2008-03-19 EP claimed