SCHEMBL3346015

SCHEMBL3346015

CC(C)(C)Cc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLS O94925 5/20 0.54
BRD4 O60885 3/20 0.50
KDM4A O75164 1/20 0.48
CREBBP Q92793 1/20 0.47
NAMPT P43490 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CTSK P43235 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC1 Q13547 1/20 0.44
CYP3A4 P08684 1/20 0.44
BRD9 Q9H8M2 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
IDO1 P14902 1/20 0.43
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL21455404 0.87 GLS (0.54) GLSBRD4KDM4ACREBBPNAMPT
SCHEMBL16181822 0.87 GLS (0.55) GLSBRD4KDM4ACREBBPNAMPT
SCHEMBL8342682 0.87 GLS (0.55) GLSBRD4KDM4ACREBBPNAMPT
SCHEMBL1165088 0.87 GLS (0.55) GLSBRD4KDM4ACREBBPNAMPT
SCHEMBL30069429 0.87 GLS (0.55) GLSBRD4KDM4ACREBBPNAMPT
SCHEMBL13981921 0.87 GLS (0.55) GLSBRD4KDM4ACREBBPNAMPT
SCHEMBL25908275 0.86 GLS (0.50) GLSBRD4KDM4ACREBBPNAMPT
SCHEMBL5102152 0.85 GLS (0.54) GLSBRD4KDM4ACREBBPNAMPT
SCHEMBL184953 0.85 GLS (0.54) GLSBRD4KDM4ACREBBPNAMPT
SCHEMBL851272 0.85 GLS (0.55) GLSBRD4KDM4ACREBBPNAMPT

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
WO-2010042030-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-15 WO disclosed