SCHEMBL3908694

SCHEMBL3908694

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CA14 Q9ULX7 4/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.32
CA7 P43166 2/20 0.32
CA2 P00918 2/20 0.32
DGAT1 O75907 1/20 0.32
POLB P06746 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
SCHEMBL12261426 0.76 HDAC6 (0.36) USP30HDAC6HDAC1HDAC2CA14
SCHEMBL16440494 0.76 HDAC6 (0.36) USP30HDAC6HDAC1HDAC2CA14
SCHEMBL28732955 0.76 HDAC6 (0.33) USP30HDAC6HDAC1HDAC2CA14
SCHEMBL5345861 0.74 AAK1 (0.35) USP30HDAC6HDAC1HDAC2CA14
SCHEMBL1028060 0.74 POLB (0.45) USP30HDAC6HDAC1HDAC2CA14
SCHEMBL19492022 0.74 USP30 (0.35) USP30HDAC6HDAC1HDAC2CA14
SCHEMBL22308401 0.73 CA1 (0.36) USP30HDAC6HDAC1HDAC2CA14
SCHEMBL1494389 0.73 HDAC6 (0.34) USP30HDAC6HDAC1HDAC2CA14
SCHEMBL6583642 0.73 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL5345858 0.73 HDAC6 (0.34) USP30HDAC6HDAC1HDAC2CA14

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-2018371-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-01-28 EP disclosed
WO-2007136703-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO disclosed