SCHEMBL7653256

SCHEMBL7653256

CC(C)(C)OC(=O)NCc1ccc2nc(NCCc3ccccc3)oc(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.58
HDAC6 Q9UBN7 1/20 0.43
GLS O94925 1/20 0.41
GRM2 Q14416 1/20 0.40

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
SCHEMBL6508215 0.83 ELANE (0.51) ELANEHDAC6GLS
SCHEMBL6504081 0.77 ELANE (0.67) ELANEHDAC6
SCHEMBL6505633 0.76 ELANE (0.72) ELANEHDAC6
SCHEMBL6810344 0.75 ELANE (1.00) ELANE
SCHEMBL6498373 0.74 ELANE (0.72) ELANEHDAC6
SCHEMBL6505439 0.74 ELANE (0.72) ELANEHDAC6
SCHEMBL6507159 0.72 ELANE (0.47) ELANEHDAC6
SCHEMBL24095207 0.71 HDAC6 (0.41) ELANEHDAC6
SCHEMBL22525046 0.71 ELANE (0.62) ELANE
SCHEMBL17432066 0.70 KDM4E (0.63)

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
US-6380189-B1 FOR TREATING HERPES-RELATED DISORDERS G.D. SEARLE & CO. 2002-04-30 US disclosed