SCHEMBL15313895

SCHEMBL15313895

CC(C)(C)c1ccccc1S(=O)(=O)c1ccc(NC(=O)c2cc(Cc3ccccc3)c(O)c(O)c2O)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 0.84
BCL2 P10415 5/20 0.76
MCL1 Q07820 1/20 0.75
SIRT5 Q9NXA8 1/20 0.75
PRMT1 Q99873 2/20 0.42
NAMPT P43490 4/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HSD11B1 P28845 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ALB P02768 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39

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
SCHEMBL15313807 0.93 BCL2L1 (0.79) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL15313856 0.90 BCL2L1 (0.77) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL15313820 0.86 BCL2 (1.00) BCL2L1BCL2MCL1SIRT5PRMT1
SCHEMBL15313843 0.86 BCL2L1 (0.83) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL29360605 0.86 BCL2 (1.00) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL687266 0.86 BCL2 (1.00) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL29359532 0.86 BCL2 (1.00) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL15313804 0.85 BCL2L1 (0.72) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL15313808 0.83 BCL2L1 (0.77) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL15313865 0.81 BCL2L1 (0.67) BCL2L1BCL2MCL1SIRT5PRMT1

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