SCHEMBL15313803

SCHEMBL15313803

COc1c(Cc2ccccc2C(C)C)cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 1.00
BCL2L1 Q07817 2/20 0.77
MCL1 Q07820 1/20 0.77
SIRT5 Q9NXA8 1/20 0.77
NR1H4 Q96RI1 1/20 0.40
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
NAMPT P43490 1/20 0.38
MMP2 P08253 2/20 0.37
MMP8 P22894 2/20 0.37
MMP12 P39900 2/20 0.37
MMP13 P45452 2/20 0.37
MMP14 P50281 2/20 0.37
MMP16 P51512 2/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
ADAM17 P78536 1/20 0.37
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36

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
SCHEMBL687266 0.87 BCL2 (1.00) BCL2BCL2L1MCL1SIRT5NAMPT
SCHEMBL29360605 0.87 BCL2 (1.00) BCL2BCL2L1MCL1SIRT5NAMPT
SCHEMBL29359532 0.87 BCL2 (1.00) BCL2BCL2L1MCL1SIRT5NAMPT
SCHEMBL22781207 0.85 BCL2 (0.87) BCL2BCL2L1MCL1SIRT5NAMPT
SCHEMBL20153703 0.79 BCL2 (0.84) BCL2BCL2L1MCL1SIRT5KCNK3
SCHEMBL15313859 0.78 BCL2 (0.64) BCL2BCL2L1MCL1SIRT5NAMPT
SCHEMBL15313829 0.76 BCL2 (0.80) BCL2BCL2L1MCL1SIRT5KCNK3
SCHEMBL15313819 0.76 BCL2 (0.79) BCL2BCL2L1MCL1SIRT5LMNA
SCHEMBL15313821 0.76 BCL2 (0.79) BCL2BCL2L1MCL1SIRT5NR1H4
SCHEMBL15313863 0.75 BCL2 (0.60) BCL2BCL2L1MCL1SIRT5NR1H4

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