SCHEMBL15313856

SCHEMBL15313856

CC(C)(C)c1ccccc1S(=O)(=O)c1ccc(NC(=O)c2cc(Cc3ccc4ccccc4c3)c(O)c(O)c2O)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 0.77
BCL2 P10415 5/20 0.72
MCL1 Q07820 1/20 0.72
SIRT5 Q9NXA8 1/20 0.72
ENPP1 P22413 1/20 0.40
PLG P00747 4/20 0.38
KLK1 P06870 4/20 0.38
KLK6 Q92876 4/20 0.38
NAMPT P43490 2/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 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
SCHEMBL15313895 0.90 BCL2L1 (0.84) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL15313807 0.89 BCL2L1 (0.79) BCL2L1BCL2MCL1SIRT5ENPP1
SCHEMBL15313843 0.86 BCL2L1 (0.83) BCL2L1BCL2MCL1SIRT5PLG
SCHEMBL29360605 0.84 BCL2 (1.00) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL687266 0.84 BCL2 (1.00) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL29359532 0.84 BCL2 (1.00) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL15313804 0.83 BCL2L1 (0.72) BCL2L1BCL2MCL1SIRT5ENPP1
SCHEMBL15313854 0.83 BCL2L1 (0.64) BCL2L1BCL2MCL1SIRT5ENPP1
SCHEMBL15313808 0.79 BCL2L1 (0.77) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL15313873 0.79 BCL2L1 (0.58) BCL2L1BCL2MCL1SIRT5ENPP1

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