SCHEMBL15313794

SCHEMBL15313794

CC(C)(C)c1ccc(S(=O)(=O)c2ccc(NC(=O)c3cc(CCc4ccccc4)c(O)c(O)c3O)cc2C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.56
BCL2 P10415 4/20 0.53
MCL1 Q07820 1/20 0.51
SIRT5 Q9NXA8 1/20 0.51
AVPR2 P30518 2/20 0.41
GPR27 Q9NS67 2/20 0.41
NAMPT P43490 4/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
NR1H4 Q96RI1 2/20 0.39
RORC P51449 1/20 0.39
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
IDH1 O75874 1/20 0.39
ESRRG P62508 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL15313797 0.96 BCL2L1 (0.54) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL15313806 0.88 BCL2L1 (0.59) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL15313804 0.86 BCL2L1 (0.72) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL15313802 0.84 BCL2 (0.75) BCL2L1BCL2MCL1SIRT5AVPR2
SCHEMBL15313787 0.82 BCL2 (0.56) BCL2L1BCL2MCL1SIRT5PPARG
SCHEMBL15313807 0.78 BCL2L1 (0.79) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL15313895 0.77 BCL2L1 (0.84) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL15313786 0.76 BCL2 (0.67) BCL2L1BCL2MCL1SIRT5KDM4E
SCHEMBL15313791 0.73 LMNA (0.57) NR1H4ESRRGLMNA
SCHEMBL15313789 0.71 BCL2 (0.57) BCL2L1BCL2MCL1SIRT5PPARG

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