SCHEMBL6654424

SCHEMBL6654424

Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL5692909 0.87 RAPGEF4 (0.33)
SCHEMBL4964156 0.84 GAA (0.41) GAATHRBCA1CA2HDAC3
SCHEMBL4961195 0.84 GAA (0.41) GAATHRBCA1CA2HDAC3
SCHEMBL4962222 0.84 THRB (0.42) THRBCA1CA2HDAC3HDAC4
SCHEMBL4962900 0.84 THRB (0.42) THRBCA1CA2HDAC3HDAC4
SCHEMBL4962460 0.84 THRB (0.42) THRBCA1CA2HDAC3HDAC4
SCHEMBL4962404 0.84 THRB (0.42) THRBCA1CA2HDAC3HDAC4
SCHEMBL1573975 0.82 THRB (0.39) THRBCA1CA2HDAC3HDAC4
SCHEMBL29746113 0.82 THRB (0.39) THRBCA1CA2HDAC3HDAC4
SCHEMBL3132444 0.80 CA1 (0.32) CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434091-A1 CHEMICAL-AMPLIFICATION-TYPE POSITIVE RADIATION-SENSITIVE RESIN COMPOSITION Clariant International Ltd. (CH) 2004-06-30 EP disclosed
US-20040033438-A1 Chemical-amplication-type positive radiation-sensitive resin composition AZ ELECTRONIC MATERIALS USA CORP. 2004-02-19 US disclosed