SCHEMBL15313819

SCHEMBL15313819

Cc1cc(S(=O)(=O)c2ccccc2C(C)(C)C)ccc1NC(=O)c1cc(Cc2ccccc2C(C)C)c(O)c(O)c1O

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 6/20 0.79
BCL2L1 Q07817 2/20 0.79
MCL1 Q07820 1/20 0.79
SIRT5 Q9NXA8 1/20 0.79
CCR8 P51685 7/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LPAR1 Q92633 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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 0.88 BCL2 (1.00) BCL2BCL2L1MCL1SIRT5LMNA
SCHEMBL29360605 0.88 BCL2 (1.00) BCL2BCL2L1MCL1SIRT5LMNA
SCHEMBL29359532 0.88 BCL2 (1.00) BCL2BCL2L1MCL1SIRT5LMNA
SCHEMBL15554034 0.88 BCL2 (0.77) BCL2BCL2L1MCL1SIRT5LMNA
SCHEMBL15313829 0.84 BCL2 (0.80) BCL2BCL2L1MCL1SIRT5ALDH1A1
SCHEMBL22781207 0.83 BCL2 (0.87) BCL2BCL2L1MCL1SIRT5LMNA
SCHEMBL20153703 0.82 BCL2 (0.84) BCL2BCL2L1MCL1SIRT5LMNA
SCHEMBL15313821 0.80 BCL2 (0.79) BCL2BCL2L1MCL1SIRT5LMNA
SCHEMBL15313802 0.76 BCL2 (0.75) BCL2BCL2L1MCL1SIRT5
SCHEMBL15313801 0.76 BCL2L1 (0.60) BCL2BCL2L1MCL1SIRT5LMNA

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