SCHEMBL9833792

SCHEMBL9833792

CC(C)(C(N)=O)c1ccc2c(c1)CC(NS(=O)(=O)c1cccnc1)CC2

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.65
HDAC6 Q9UBN7 2/20 0.44
TBXAS1 P24557 6/20 0.43
TBXA2R P21731 1/20 0.43
RORC P51449 1/20 0.40
CYP1A2 P05177 1/20 0.40
GRIA2 P42262 1/20 0.40
HSD11B1 P28845 1/20 0.39

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
SCHEMBL462300 0.80 HDAC8 (0.81) HDAC8HDAC6TBXAS1TBXA2R
SCHEMBL441790 0.79 HDAC8 (1.00) HDAC8HDAC6
SCHEMBL9452869 0.78 HDAC8 (0.68) HDAC8HDAC6TBXAS1TBXA2R
SCHEMBL9452893 0.77 HDAC8 (0.64) HDAC8HDAC6TBXAS1TBXA2R
SCHEMBL1282031 0.71 HDAC8 (0.56) HDAC8RORC
SCHEMBL2221395 0.70 HDAC8 (0.50) HDAC8HSD11B1
SCHEMBL2221393 0.70 HDAC8 (0.50) HDAC8HSD11B1
SCHEMBL783637 0.69 SMN1; SMN2 (0.56) HDAC8RORC
Bicarbonate SCHEMBL15226047 0.69 NAMPT (0.57) HDAC8
SCHEMBL15225912 0.68 SMN1; SMN2 (0.59) HDAC8

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-0430459-A1 Tetrahydronaphthalene derivatives and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1991-06-05 EP disclosed