SCHEMBL15313806

SCHEMBL15313806

CC(C)(C)c1ccc(Cc2cc(C(=O)Nc3ccc(S(=O)(=O)c4ccc(C(C)(C)C)cc4)c(C(F)(F)F)c3)c(O)c(O)c2O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 0.59
BCL2 P10415 4/20 0.56
MCL1 Q07820 1/20 0.54
SIRT5 Q9NXA8 1/20 0.54
PLG P00747 2/20 0.39
KLK1 P06870 2/20 0.39
KLK6 Q92876 2/20 0.39
KLKB1 P03952 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ESRRG P62508 1/20 0.39
RORC P51449 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
NAMPT P43490 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL15313797 0.92 BCL2L1 (0.54) BCL2L1BCL2MCL1SIRT5PLG
SCHEMBL15313794 0.88 BCL2L1 (0.56) BCL2L1BCL2MCL1SIRT5ESRRG
SCHEMBL15313802 0.87 BCL2 (0.75) BCL2L1BCL2MCL1SIRT5RORC
SCHEMBL15313807 0.86 BCL2L1 (0.79) BCL2L1BCL2MCL1SIRT5PLG
SCHEMBL15313895 0.79 BCL2L1 (0.84) BCL2L1BCL2MCL1SIRT5NR1H4
SCHEMBL15313804 0.78 BCL2L1 (0.72) BCL2L1BCL2MCL1SIRT5PLG
SCHEMBL15313856 0.76 BCL2L1 (0.77) BCL2L1BCL2MCL1SIRT5PLG
SCHEMBL15313805 0.74 BCL2 (0.58) BCL2L1BCL2MCL1SIRT5NR1H4
SCHEMBL15313820 0.73 BCL2 (1.00) BCL2L1BCL2MCL1SIRT5NAMPT
SCHEMBL15313787 0.72 BCL2 (0.56) BCL2L1BCL2MCL1SIRT5PLG

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