SCHEMBL15313841

SCHEMBL15313841

CC(C)c1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cc4ccccc4C(C)C)c(O)c(O)c3O)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 5/20 0.64
BCL2L1 Q07817 2/20 0.64
MCL1 Q07820 1/20 0.64
SIRT5 Q9NXA8 1/20 0.64
ALOX12 P18054 1/20 0.51
GPR27 Q9NS67 8/20 0.43
AVPR2 P30518 3/20 0.43
KMT2A Q03164 1/20 0.42
CA2 P00918 1/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
FADS1 O60427 1/20 0.41

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
SCHEMBL15313827 0.91 BCL2 (0.64) BCL2BCL2L1MCL1SIRT5GPR27
SCHEMBL15313836 0.89 BCL2 (0.64) BCL2BCL2L1MCL1SIRT5ALOX12
SCHEMBL15313844 0.89 BCL2 (0.55) BCL2BCL2L1MCL1SIRT5ALOX12
SCHEMBL15313842 0.87 BCL2 (0.68) BCL2BCL2L1MCL1SIRT5GPR27
SCHEMBL15313814 0.83 BCL2 (0.68) BCL2BCL2L1MCL1SIRT5KMT2A
SCHEMBL15313894 0.82 BCL2 (0.61) BCL2BCL2L1MCL1SIRT5GPR27
SCHEMBL15313834 0.81 ALOX12 (0.54) ALOX12GPR27AVPR2KMT2ACA2
SCHEMBL15313846 0.81 BCL2 (0.57) BCL2BCL2L1MCL1SIRT5ALOX12
SCHEMBL15313892 0.80 BCL2 (0.63) BCL2BCL2L1MCL1SIRT5
SCHEMBL15313897 0.80 BCL2 (0.63) 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