SCHEMBL9842418

SCHEMBL9842418

CC(C)(C)c1cc(-c2csc(CCC(=O)NO)n2)cc(C(C)(C)C)c1O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.59
HDAC1 Q13547 13/20 0.50
HDAC6 Q9UBN7 13/20 0.50
HDAC3 O15379 9/20 0.50
HDAC4 P56524 9/20 0.50
HDAC7 Q8WUI4 9/20 0.50
HDAC2 Q92769 9/20 0.50
HDAC10 Q969S8 9/20 0.50
HDAC11 Q96DB2 9/20 0.50
HDAC8 Q9BY41 9/20 0.50
HDAC9 Q9UKV0 9/20 0.50
HDAC5 Q9UQL6 9/20 0.50
CNR1 P21554 5/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL9630128 0.86 CNR2 (0.63) CNR2HDAC1HDAC6HDAC3HDAC4
SCHEMBL9585436 0.81 CNR2 (0.57) CNR2CNR1GAA
SCHEMBL3180782 0.81 CNR2 (0.60) CNR2CNR1GAA
SCHEMBL1927472 0.80 CNR2 (0.64) CNR2CNR1GAA
SCHEMBL5097779 0.80 CNR2 (0.67) CNR2CNR1
Hydrochloric Acid SCHEMBL1928223 0.79 CNR2 (0.63) CNR2CNR1GAA
SCHEMBL1927566 0.79 CNR2 (0.59) CNR2CNR1GAA
SCHEMBL1925621 0.78 CNR2 (0.62) CNR2CNR1GAA
SCHEMBL2342868 0.78 CNR2 (0.62) CNR2CNR1GAA
SCHEMBL1929381 0.78 CNR2 (0.72) CNR2CNR1GAA

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-0432740-A2 2-Substituted 4-(3-alkyl-5-tert.-butyl-4-hydroxy-phenyl)-thiazole, process for their preparation, medicaments containing them and their utilization HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-19 EP disclosed