SCHEMBL15313829

SCHEMBL15313829

Cc1cc(NC(=O)c2cc(Cc3ccccc3C(C)C)c(O)c(O)c2O)ccc1S(=O)(=O)c1ccccc1C(C)(C)C

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 5/20 0.80
BCL2L1 Q07817 3/20 0.80
MCL1 Q07820 1/20 0.80
SIRT5 Q9NXA8 1/20 0.80
KCNK3 O14649 3/20 0.36
KCNK9 Q9NPC2 3/20 0.36
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CFTR P13569 2/20 0.33
PTPRC P08575 1/20 0.33

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
SCHEMBL15313821 0.91 BCL2 (0.79) BCL2BCL2L1MCL1SIRT5KCNK3
SCHEMBL687266 0.89 BCL2 (1.00) BCL2BCL2L1MCL1SIRT5ABCC9
SCHEMBL29359532 0.89 BCL2 (1.00) BCL2BCL2L1MCL1SIRT5ABCC9
SCHEMBL29360605 0.89 BCL2 (1.00) BCL2BCL2L1MCL1SIRT5ABCC9
SCHEMBL15554034 0.87 BCL2 (0.77) BCL2BCL2L1MCL1SIRT5ALDH1A1
SCHEMBL15313819 0.84 BCL2 (0.79) BCL2BCL2L1MCL1SIRT5ALDH1A1
SCHEMBL22781207 0.84 BCL2 (0.87) BCL2BCL2L1MCL1SIRT5ABCC9
SCHEMBL20153703 0.82 BCL2 (0.84) BCL2BCL2L1MCL1SIRT5KCNK3
SCHEMBL15313802 0.80 BCL2 (0.75) BCL2BCL2L1MCL1SIRT5KCNK3
SCHEMBL15313823 0.78 BCL2 (0.72) BCL2BCL2L1MCL1SIRT5KCNK3

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