SCHEMBL7612342

SCHEMBL7612342

CC(C)(C)OC(=O)N(CCN)C(=O)CBr

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL28319882 0.85 HDAC6 (0.37) HDAC6HDAC1HDAC2CA14
SCHEMBL959919 0.81 HDAC6 (0.34) HDAC6HDAC1HDAC2CA14
SCHEMBL27470232 0.80 HDAC6 (0.33) HDAC6HDAC1HDAC2CA14
SCHEMBL9983224 0.79 CA14 (0.32) HDAC6HDAC1HDAC2CA14
SCHEMBL27417576 0.77 HDAC6 (0.33) HDAC6HDAC1HDAC2CA14
SCHEMBL19641951 0.77 TSHR (0.32)
SCHEMBL1309204 0.76 CA14 (0.41) HDAC6HDAC1HDAC2CA14
SCHEMBL21664460 0.74 CA14 (0.35) CA14
SCHEMBL2909639 0.74 CA14 (0.38) HDAC6HDAC1HDAC2CA14
SCHEMBL1401436 0.74 AKT1 (0.39) AKT1HDAC6HDAC1HDAC2CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192465-A1 DETECTION USING DENDRIMERS BEARING LABELS AND PROBES DAKO A/S (DK) 2002-04-03 EP disclosed
WO-2001002861-A1 DETECTION USING DENDRIMERS BEARING LABELS AND PROBES DAKO A/S (DK) 2001-01-11 WO disclosed