SCHEMBL15313868

SCHEMBL15313868

CC(C)(C)c1ccccc1S(=O)(=O)c1ccc(NC(=O)c2cc(-c3cc4ccccc4s3)c(O)c(O)c2O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 0.61
BCL2 P10415 3/20 0.56
MCL1 Q07820 1/20 0.56
SIRT5 Q9NXA8 1/20 0.56
F10 P00742 1/20 0.41
TBK1 Q9UHD2 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
MAPK14 Q16539 1/20 0.36
HSD11B1 P28845 1/20 0.36
PIN1 Q13526 1/20 0.36

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
SCHEMBL15313884 0.84 BCL2L1 (0.59) BCL2L1BCL2MCL1SIRT5MEN1
SCHEMBL15313864 0.83 BCL2L1 (0.65) BCL2L1BCL2MCL1SIRT5HDAC1
SCHEMBL15313854 0.83 BCL2L1 (0.64) BCL2L1BCL2MCL1SIRT5F10
SCHEMBL15313865 0.81 BCL2L1 (0.67) BCL2L1BCL2MCL1SIRT5F10
SCHEMBL15313869 0.81 BCL2L1 (0.61) BCL2L1BCL2MCL1SIRT5F10
SCHEMBL15313856 0.75 BCL2L1 (0.77) BCL2L1BCL2MCL1SIRT5HSD11B1
SCHEMBL15313843 0.75 BCL2L1 (0.83) BCL2L1BCL2MCL1SIRT5MEN1
SCHEMBL15313895 0.75 BCL2L1 (0.84) BCL2L1BCL2MCL1SIRT5HSD11B1
SCHEMBL15313873 0.73 BCL2L1 (0.58) BCL2L1BCL2MCL1SIRT5HSD11B1
SCHEMBL15313807 0.73 BCL2L1 (0.79) BCL2L1BCL2MCL1SIRT5HSD11B1

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
US-8557812-B2 Small molecule inhibitors of anti-apoptotic BCL-2 family members and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-15 US disclosed
US-8557812-B2 Small molecule inhibitors of anti-apoptotic BCL-2 family members and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-15 US disclosed