SCHEMBL7558419

SCHEMBL7558419

CCCC(=O)NS(=O)(=O)NC(=O)CCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC2 Q92769 4/20 0.52
HDAC8 Q9BY41 4/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CTSD P07339 1/20 0.50
CASP2 P42575 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
FFAR3 O14843 3/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.38
NSD2 O96028 1/20 0.37
TTR P02766 1/20 0.37
CA4 P22748 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL177558 0.82 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6015 0.82 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6309191 0.82 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4000047 0.80 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8087887 0.80 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7527834 0.80 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14345881 0.80 CTSD (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11684776 0.79 CASP3 (0.31) CASP2
SCHEMBL7991035 0.78 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6059202 0.78 MEN1 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019390-B1 1,2 CHEMILUMINESCENT DIOXETANES OF IMPROVED PERFORMANCE TROPIX INC (US) 2002-07-24 EP disclosed
EP-1019390-A4 1,2 CHEMILUMINESCENT DIOXETANES OF IMPROVED PERFORMANCE TROPIX INC (US) 2000-07-19 EP disclosed
EP-1019390-A1 1,2 CHEMILUMINESCENT DIOXETANES OF IMPROVED PERFORMANCE TROPIX, INC. (US) 2000-07-19 EP disclosed
US-5869699-A STABLE DIOXETANE BEARING A SPIROADAMANTANE STABILIZING GROUP AND ARYLOXY MOIETY, WITH A PROTECTING GROUP THAT CAN BE REMOVED BY AN ENZYMATIC OR CHEMICAL TRIGGER; KIT FOR USE IN ASSAYS REQUIRING HIGH LIGHT INTENSITY, DETECTION SENSITIVITY TROPIX, INC. (US) 1999-02-09 US disclosed
WO-1997014692-A1 1,2 CHEMILUMINESCENT DIOXETANES OF IMPROVED PERFORMANCE TROPIX, INC. (US) 1997-04-24 WO disclosed