SCHEMBL15313865

SCHEMBL15313865

CC(C)(C)c1ccccc1S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)c(O)c(O)c2O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 0.67
BCL2 P10415 4/20 0.61
MCL1 Q07820 1/20 0.61
SIRT5 Q9NXA8 1/20 0.61
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
MMP16 P51512 1/20 0.44
PRMT1 Q99873 2/20 0.43
SETD7 Q8WTS6 1/20 0.43
NAMPT P43490 1/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41

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 0.90 BCL2L1 (0.61) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL15313854 0.89 BCL2L1 (0.64) BCL2L1BCL2MCL1SIRT5POLB
SCHEMBL15313864 0.84 BCL2L1 (0.65) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL15313868 0.81 BCL2L1 (0.61) BCL2L1BCL2MCL1SIRT5POLB
SCHEMBL15313895 0.81 BCL2L1 (0.84) BCL2L1BCL2MCL1SIRT5MMP1
SCHEMBL15313884 0.80 BCL2L1 (0.59) BCL2L1BCL2MCL1SIRT5POLB
SCHEMBL15313873 0.78 BCL2L1 (0.58) BCL2L1BCL2MCL1SIRT5POLB
SCHEMBL15313807 0.77 BCL2L1 (0.79) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL15313804 0.76 BCL2L1 (0.72) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL15313877 0.76 BCL2L1 (0.56) BCL2L1BCL2MCL1SIRT5POLB

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