SCHEMBL15313864

SCHEMBL15313864

CC(C)(C)c1ccccc1S(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccc4ccccc34)c(O)c(O)c2O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 0.65
BCL2 P10415 3/20 0.59
MCL1 Q07820 1/20 0.59
SIRT5 Q9NXA8 1/20 0.59
HTR6 P50406 1/20 0.42
DEGS1 O15121 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TNF P01375 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NOD1 Q9Y239 1/20 0.41
PLG P00747 2/20 0.40
KLK1 P06870 2/20 0.40
KLK6 Q92876 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 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
SCHEMBL15313869 0.94 BCL2L1 (0.61) BCL2L1BCL2MCL1SIRT5HTR6
SCHEMBL15313854 0.86 BCL2L1 (0.64) BCL2L1BCL2MCL1SIRT5NPC1
SCHEMBL15313843 0.85 BCL2L1 (0.83) BCL2L1BCL2MCL1SIRT5HTR6
SCHEMBL15313863 0.85 BCL2 (0.60) BCL2L1BCL2MCL1SIRT5HTR6
SCHEMBL15313865 0.84 BCL2L1 (0.67) BCL2L1BCL2MCL1SIRT5MAPT
SCHEMBL15313868 0.83 BCL2L1 (0.61) BCL2L1BCL2MCL1SIRT5MAPT
SCHEMBL15313884 0.80 BCL2L1 (0.59) BCL2L1BCL2MCL1SIRT5RAB9A
SCHEMBL15313856 0.78 BCL2L1 (0.77) BCL2L1BCL2MCL1SIRT5NPC1
SCHEMBL15313895 0.78 BCL2L1 (0.84) BCL2L1BCL2MCL1SIRT5LMNA
SCHEMBL15313873 0.76 BCL2L1 (0.58) BCL2L1BCL2MCL1SIRT5NPC1

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