SCHEMBL15313805

SCHEMBL15313805

CC(C)(C)c1ccc(Cc2cc(C(=O)Nc3cc(S(=O)(=O)c4ccc(Cl)cc4)ccc3Cl)c(O)c(O)c2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 4/20 0.58
BCL2L1 Q07817 5/20 0.56
ALDH1A1 P00352 2/20 0.43
MCL1 Q07820 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
PPARG P37231 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
CYP2C9 P11712 1/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
SLC16A1 P53985 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 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
SCHEMBL15313789 0.92 BCL2 (0.57) BCL2BCL2L1ALDH1A1MCL1SIRT5
SCHEMBL15313793 0.88 BCL2 (0.59) BCL2BCL2L1ALDH1A1MCL1SIRT5
SCHEMBL15313785 0.88 BCL2 (0.67) BCL2BCL2L1ALDH1A1MCL1SIRT5
SCHEMBL15313811 0.85 BCL2 (0.71) BCL2BCL2L1ALDH1A1LMNAPOLB
SCHEMBL15313825 0.85 BCL2L1 (0.51) BCL2BCL2L1ALDH1A1MCL1SIRT5
SCHEMBL15313783 0.79 BCL2 (0.59) BCL2BCL2L1ALDH1A1LMNAPOLB
SCHEMBL15313801 0.79 BCL2L1 (0.60) BCL2BCL2L1ALDH1A1MCL1SIRT5
SCHEMBL15313848 0.78 BCL2L1 (0.56) BCL2BCL2L1ALDH1A1MCL1SIRT5
SCHEMBL15313817 0.78 BCL2 (0.60) BCL2BCL2L1ALDH1A1MCL1SIRT5
SCHEMBL15313809 0.78 BCL2L1 (0.57) BCL2BCL2L1ALDH1A1LMNAPOLB

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