SCHEMBL15313892

SCHEMBL15313892

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

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 5/20 0.63
BCL2L1 Q07817 2/20 0.63
MCL1 Q07820 1/20 0.63
SIRT5 Q9NXA8 1/20 0.63
MMP2 P08253 12/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 7/20 0.40
MMP14 P50281 4/20 0.40
ADAMTS4 O75173 2/20 0.40
MMP7 P09237 2/20 0.40
MMP12 P39900 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 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
SCHEMBL15313897 1.00 BCL2 (0.63) BCL2BCL2L1MCL1SIRT5MMP2
SCHEMBL15313893 0.88 BCL2 (0.61) BCL2BCL2L1MCL1SIRT5MMP2
SCHEMBL15313894 0.88 BCL2 (0.61) BCL2BCL2L1MCL1SIRT5MMP2
SCHEMBL15313888 0.87 BCL2 (0.59) BCL2BCL2L1MCL1SIRT5MMP9
SCHEMBL15313842 0.83 BCL2 (0.68) BCL2BCL2L1MCL1SIRT5
SCHEMBL15313904 0.82 BCL2 (0.58) BCL2BCL2L1MCL1SIRT5MMP2
SCHEMBL15313902 0.81 BCL2 (0.61) BCL2BCL2L1MCL1SIRT5MMP2
SCHEMBL15313827 0.80 BCL2 (0.64) BCL2BCL2L1MCL1SIRT5
SCHEMBL15313841 0.80 BCL2 (0.64) BCL2BCL2L1MCL1SIRT5
SCHEMBL15313814 0.80 BCL2 (0.68) BCL2BCL2L1MCL1SIRT5

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