SCHEMBL15313802

SCHEMBL15313802

CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(C(F)(F)F)c2)c(O)c(O)c1O

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 5/20 0.75
BCL2L1 Q07817 2/20 0.75
MCL1 Q07820 1/20 0.75
SIRT5 Q9NXA8 1/20 0.75
RORC P51449 1/20 0.40
HSD11B1 P28845 2/20 0.38
AVPR2 P30518 2/20 0.37
GPR27 Q9NS67 2/20 0.37
PTPRC P08575 1/20 0.36
S1PR1 P21453 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35

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
SCHEMBL15313806 0.87 BCL2L1 (0.59) BCL2BCL2L1MCL1SIRT5RORC
SCHEMBL29359532 0.86 BCL2 (1.00) BCL2BCL2L1MCL1SIRT5HSD11B1
SCHEMBL687266 0.86 BCL2 (1.00) BCL2BCL2L1MCL1SIRT5HSD11B1
SCHEMBL29360605 0.86 BCL2 (1.00) BCL2BCL2L1MCL1SIRT5HSD11B1
SCHEMBL15313794 0.84 BCL2L1 (0.56) BCL2BCL2L1MCL1SIRT5RORC
SCHEMBL15313797 0.82 BCL2L1 (0.54) BCL2BCL2L1MCL1SIRT5RORC
SCHEMBL20153703 0.81 BCL2 (0.84) BCL2BCL2L1MCL1SIRT5AVPR2
SCHEMBL15313829 0.80 BCL2 (0.80) BCL2BCL2L1MCL1SIRT5PTPRC
SCHEMBL15313821 0.80 BCL2 (0.79) BCL2BCL2L1MCL1SIRT5KCNK3
SCHEMBL22781207 0.79 BCL2 (0.87) BCL2BCL2L1MCL1SIRT5HSD11B1

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