SCHEMBL15313804

SCHEMBL15313804

CC(C)(C)c1ccc(CCc2cc(C(=O)Nc3ccc(S(=O)(=O)c4ccccc4C(C)(C)C)cc3)c(O)c(O)c2O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 0.72
BCL2 P10415 4/20 0.66
MCL1 Q07820 1/20 0.66
SIRT5 Q9NXA8 1/20 0.66
HSD11B1 P28845 1/20 0.41
PLG P00747 2/20 0.41
KLK1 P06870 2/20 0.41
KLK6 Q92876 2/20 0.41
KLKB1 P03952 1/20 0.41
NR1H4 Q96RI1 3/20 0.41
MEN1 O00255 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.39
ENPP1 P22413 1/20 0.38

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 0.92 BCL2L1 (0.79) BCL2L1BCL2MCL1SIRT5HSD11B1
SCHEMBL15313797 0.86 BCL2L1 (0.54) BCL2L1BCL2MCL1SIRT5PLG
SCHEMBL15313794 0.86 BCL2L1 (0.56) BCL2L1BCL2MCL1SIRT5NR1H4
SCHEMBL15313895 0.85 BCL2L1 (0.84) BCL2L1BCL2MCL1SIRT5HSD11B1
SCHEMBL15313787 0.83 BCL2 (0.56) BCL2L1BCL2MCL1SIRT5PLG
SCHEMBL15313856 0.83 BCL2L1 (0.77) BCL2L1BCL2MCL1SIRT5HSD11B1
SCHEMBL15313843 0.79 BCL2L1 (0.83) BCL2L1BCL2MCL1SIRT5PLG
SCHEMBL687266 0.79 BCL2 (1.00) BCL2L1BCL2MCL1SIRT5HSD11B1
SCHEMBL29360605 0.79 BCL2 (1.00) BCL2L1BCL2MCL1SIRT5HSD11B1
SCHEMBL29359532 0.79 BCL2 (1.00) 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