SCHEMBL7947169

SCHEMBL7947169

CCOC(=O)C(NCc1cccc(CNC(=O)OC(C)(C)C)c1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
GLS O94925 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ROCK2 O75116 1/20 0.41
BRD4 O60885 2/20 0.41
CREBBP Q92793 1/20 0.41
CACNA1B Q00975 1/20 0.40
F2 P00734 1/20 0.40
TSHR P16473 2/20 0.40
MMP13 P45452 2/20 0.39
EPHX1 P07099 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
SYK P43405 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA5 P08648 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL3244499 0.89 GLS (0.46) GLSL3MBTL1ROCK2BRD4CREBBP
SCHEMBL8202738 0.81 CACNA1B (0.48) L3MBTL1ROCK2CACNA1BEPHX1ITGB3
SCHEMBL3457367 0.80 ITGB3 (0.50) L3MBTL1ROCK2CACNA1BEPHX1ITGB3
SCHEMBL7946795 0.76 GLS (0.48) GLSROCK2BRD4CREBBP
SCHEMBL12407064 0.76 GLS (0.47) EPHX2GLSBRD4CREBBPTSHR
SCHEMBL4327276 0.75 GLS (0.44) GLSL3MBTL1BRD4CREBBPTSHR
SCHEMBL24732888 0.74 ROCK2 (0.54) GLSL3MBTL1ROCK2BRD4CREBBP
SCHEMBL30779221 0.74 ROCK2 (0.54) GLSL3MBTL1ROCK2BRD4CREBBP
SCHEMBL13981921 0.74 GLS (0.55) GLSL3MBTL1BRD4CREBBPSYK
SCHEMBL25048390 0.74 BRD4 (0.47) GLSL3MBTL1ROCK2BRD4CREBBP

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
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed