SCHEMBL15313893

SCHEMBL15313893

COC(=O)C(CC(C)C)NS(=O)(=O)c1ccc(NC(=O)c2cc(Cc3ccccc3C(C)C)c(O)c(O)c2O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 5/20 0.61
BCL2L1 Q07817 2/20 0.61
MCL1 Q07820 1/20 0.61
SIRT5 Q9NXA8 1/20 0.61
MMP2 P08253 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
PLAU P00749 1/20 0.38
HPN P05981 1/20 0.38
KCNA5 P22460 1/20 0.37
MMP9 P14780 1/20 0.37
AVPR2 P30518 1/20 0.37
GPR27 Q9NS67 1/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL15313888 0.90 BCL2 (0.59) BCL2BCL2L1MCL1SIRT5CA12
SCHEMBL15313892 0.88 BCL2 (0.63) BCL2BCL2L1MCL1SIRT5MMP2
SCHEMBL15313897 0.88 BCL2 (0.63) BCL2BCL2L1MCL1SIRT5MMP2
SCHEMBL15313894 0.87 BCL2 (0.61) BCL2BCL2L1MCL1SIRT5MMP2
SCHEMBL15313904 0.84 BCL2 (0.58) BCL2BCL2L1MCL1SIRT5MMP2
SCHEMBL15313902 0.83 BCL2 (0.61) BCL2BCL2L1MCL1SIRT5MMP2
SCHEMBL15313842 0.82 BCL2 (0.68) BCL2BCL2L1MCL1SIRT5CA12
SCHEMBL15313841 0.79 BCL2 (0.64) BCL2BCL2L1MCL1SIRT5CA2
SCHEMBL15313827 0.79 BCL2 (0.64) BCL2BCL2L1MCL1SIRT5AVPR2
SCHEMBL15313814 0.79 BCL2 (0.68) BCL2BCL2L1MCL1SIRT5LMNA

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