SCHEMBL15313878

SCHEMBL15313878

COc1c(C(=O)c2ccc3ccccc3c2)cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.58
BCL2 P10415 3/20 0.55
MCL1 Q07820 1/20 0.55
SIRT5 Q9NXA8 1/20 0.55
ENPP1 P22413 4/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ENPP2 Q13822 2/20 0.42
PLAU P00749 2/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
GPR27 Q9NS67 1/20 0.41
ENPP3 O14638 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL15313854 0.79 BCL2L1 (0.64) BCL2L1BCL2MCL1SIRT5ENPP1
SCHEMBL15313856 0.78 BCL2L1 (0.77) BCL2L1BCL2MCL1SIRT5ENPP1
SCHEMBL15313873 0.77 BCL2L1 (0.58) BCL2L1BCL2MCL1SIRT5ENPP1
SCHEMBL15313877 0.76 BCL2L1 (0.56) BCL2L1BCL2MCL1SIRT5ENPP1
SCHEMBL15313872 0.75 BCL2 (0.50) BCL2L1BCL2MCL1SIRT5ENPP1
SCHEMBL15313864 0.74 BCL2L1 (0.65) BCL2L1BCL2MCL1SIRT5NPC1
SCHEMBL15313869 0.74 BCL2L1 (0.61) BCL2L1BCL2MCL1SIRT5NPC1
SCHEMBL15313843 0.73 BCL2L1 (0.83) BCL2L1BCL2MCL1SIRT5NPC1
SCHEMBL15313863 0.73 BCL2 (0.60) BCL2L1BCL2MCL1SIRT5NPC1
SCHEMBL15313895 0.73 BCL2L1 (0.84) BCL2L1BCL2MCL1SIRT5ALDH1A1

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