SCHEMBL6682086

SCHEMBL6682086

S=Cc1ccccc1SCCCCS

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.32
HTR7 P34969 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 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
SCHEMBL6681706 0.95 MEN1 (0.32) PTGS2HTR7
SCHEMBL6830591 0.87 HTR7 (0.37) HTR7
SCHEMBL10995099 0.67 ALDH1A1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29364906 0.66 HTR7 (0.47) PTGS2HTR7
SCHEMBL890866 0.66 HTR7 (0.47) PTGS2HTR7
SCHEMBL20706942 0.66 ADAMTS4 (0.37) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7384646 0.66 LMNA (0.40) PTGS2
SCHEMBL19630504 0.66 PTGS2 (0.50) PTGS2
SCHEMBL6765848 0.66 PTGS2 (0.51) PTGS2
SCHEMBL7721146 0.64 PTGS2 (0.52) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed