SCHEMBL15313842

SCHEMBL15313842

CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C(C)C)cc2)c(O)c(O)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 5/20 0.68
BCL2L1 Q07817 2/20 0.68
MCL1 Q07820 1/20 0.68
SIRT5 Q9NXA8 1/20 0.68
GPR27 Q9NS67 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CRHBP P24387 1/20 0.42

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
SCHEMBL15313838 0.92 BCL2 (0.66) BCL2BCL2L1MCL1SIRT5GPR27
SCHEMBL15313846 0.91 BCL2 (0.57) BCL2BCL2L1MCL1SIRT5GPR27
SCHEMBL15313850 0.88 BCL2 (0.56) BCL2BCL2L1MCL1SIRT5CA12
SCHEMBL15313827 0.87 BCL2 (0.64) BCL2BCL2L1MCL1SIRT5GPR27
SCHEMBL15313841 0.87 BCL2 (0.64) BCL2BCL2L1MCL1SIRT5GPR27
SCHEMBL15313814 0.84 BCL2 (0.68) BCL2BCL2L1MCL1SIRT5KDM4E
SCHEMBL15313835 0.83 CA12 (0.51) BCL2BCL2L1MCL1SIRT5GPR27
SCHEMBL15313892 0.83 BCL2 (0.63) BCL2BCL2L1MCL1SIRT5
SCHEMBL15313897 0.83 BCL2 (0.63) BCL2BCL2L1MCL1SIRT5
SCHEMBL15313893 0.82 BCL2 (0.61) BCL2BCL2L1MCL1SIRT5GPR27

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