SCHEMBL15313816

SCHEMBL15313816

CNC(=O)c1cc(Cc2ccccc2C(C)C)c(O)c(O)c1O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 8/20 0.58
MCL1 Q07820 4/20 0.58
BCL2L1 Q07817 2/20 0.58
SIRT5 Q9NXA8 1/20 0.58
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
LPAR1 Q92633 2/20 0.39
HSP90AB1 P08238 1/20 0.38
HMGB1 P09429 1/20 0.36
CXCL12 P48061 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL15313814 0.87 BCL2 (0.68) BCL2MCL1BCL2L1SIRT5GAA
SCHEMBL15005278 0.85 BCL2 (0.51) BCL2MCL1BCL2L1SIRT5LPAR1
SCHEMBL15313828 0.83 BCL2 (0.55) BCL2MCL1BCL2L1SIRT5LMNA
SCHEMBL15313891 0.80 ALDH1A1 (0.49) BCL2MCL1BCL2L1SIRT5GAA
SCHEMBL15313849 0.78 BCL2 (0.67) BCL2MCL1BCL2L1SIRT5GAA
SCHEMBL15313887 0.78 BCL2 (0.56) BCL2MCL1BCL2L1SIRT5LMNA
SCHEMBL15313842 0.77 BCL2 (0.68) BCL2MCL1BCL2L1SIRT5LMNA
SCHEMBL15554034 0.76 BCL2 (0.77) BCL2MCL1BCL2L1SIRT5GAA
SCHEMBL687266 0.75 BCL2 (1.00) BCL2MCL1BCL2L1SIRT5LMNA
SCHEMBL15313801 0.75 BCL2L1 (0.60) BCL2MCL1BCL2L1SIRT5GAA

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