SCHEMBL6583642

SCHEMBL6583642

CC(Br)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
DGAT1 O75907 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
CA14 Q9ULX7 2/20 0.31
CA12 O43570 1/20 0.30

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
SCHEMBL16440494 0.81 HDAC6 (0.36) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL15766040 0.80 HDAC6 (0.37) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL8341454 0.77 HDAC6 (0.35) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL29463474 0.76 MEN1 (0.34) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL11106058 0.76 MEN1 (0.34) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL28941238 0.76 MEN1 (0.34) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL16284719 0.75 HDAC6 (0.38) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL16284720 0.74 HDAC6 (0.36) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL27822328 0.74 HDAC6 (0.36) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL1764024 0.73 MEN1 (0.34) HDAC6HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990653-B1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
US-6258825-B1 ANALGESIC, A RELIEVER AGAINST TOLERANCE TO A NARCOTIC ANALGESIC REPRESENTED BY MORPHINE, REMEDY FOR PARKINSONISM, A REMEDY FOR CHOREA, AN ANTIDEPRESSANT, A REMEDY FOR DIABETES INSIPIDUS, A REMEDY FOR POLYURIA, OR HYPOTENSION BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-07-10 US disclosed
EP-0990653-A1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP disclosed