SCHEMBL15313888

SCHEMBL15313888

COC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(NC(=O)c2cc(Cc3ccccc3C(C)C)c(O)c(O)c2O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 5/20 0.59
BCL2L1 Q07817 2/20 0.59
MCL1 Q07820 1/20 0.59
SIRT5 Q9NXA8 1/20 0.59
MMP9 P14780 2/20 0.48
CA12 O43570 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA1 P00915 2/20 0.46
GAA P10253 1/20 0.44
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CTSL P07711 1/20 0.41
BMP1 P13497 2/20 0.40
USP30 Q70CQ3 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL15313904 0.94 BCL2 (0.58) BCL2BCL2L1MCL1SIRT5MMP9
SCHEMBL15313902 0.92 BCL2 (0.61) BCL2BCL2L1MCL1SIRT5MMP9
SCHEMBL15313893 0.90 BCL2 (0.61) BCL2BCL2L1MCL1SIRT5MMP9
SCHEMBL15313894 0.89 BCL2 (0.61) BCL2BCL2L1MCL1SIRT5MMP9
SCHEMBL15313892 0.87 BCL2 (0.63) BCL2BCL2L1MCL1SIRT5MMP9
SCHEMBL15313897 0.87 BCL2 (0.63) BCL2BCL2L1MCL1SIRT5MMP9
SCHEMBL15313891 0.83 ALDH1A1 (0.49) BCL2BCL2L1MCL1SIRT5GAA
SCHEMBL15313842 0.80 BCL2 (0.68) BCL2BCL2L1MCL1SIRT5CA12
SCHEMBL15313814 0.79 BCL2 (0.68) BCL2BCL2L1MCL1SIRT5GAA
SCHEMBL15313838 0.78 BCL2 (0.66) BCL2BCL2L1MCL1SIRT5CA12

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