SCHEMBL15313825

SCHEMBL15313825

CC(C)(C)c1ccc(CCc2cc(C(=O)Nc3cc(S(=O)(=O)c4ccc(Br)cc4)ccc3Cl)c(O)c(O)c2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 4/20 0.51
BCL2 P10415 3/20 0.48
PPARG P37231 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
ESRRB O95718 1/20 0.38
ESRRG P62508 1/20 0.38
MCL1 Q07820 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SLC16A1 P53985 1/20 0.37
CYP2C9 P11712 1/20 0.36
MAPT P10636 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL15313789 0.93 BCL2 (0.57) BCL2L1BCL2PPARGNR1H4LMNA
SCHEMBL15313805 0.85 BCL2 (0.58) BCL2L1BCL2PPARGNR1H4LMNA
SCHEMBL15313783 0.81 BCL2 (0.59) BCL2L1BCL2LMNAPOLBALDH1A1
SCHEMBL15313787 0.78 BCL2 (0.56) BCL2L1BCL2PPARGNR1H4LMNA
SCHEMBL15313809 0.78 BCL2L1 (0.57) BCL2L1BCL2LMNAPOLBALDH1A1
SCHEMBL15313811 0.77 BCL2 (0.71) BCL2L1BCL2LMNAPOLBALDH1A1
SCHEMBL15313822 0.76 BCL2 (0.58) BCL2L1BCL2LMNAPOLBMCL1
SCHEMBL15313804 0.74 BCL2L1 (0.72) BCL2L1BCL2NR1H4LMNAESRRG
SCHEMBL15313817 0.74 BCL2 (0.60) BCL2L1BCL2LMNAPOLBMCL1
SCHEMBL15313797 0.74 BCL2L1 (0.54) BCL2L1BCL2NR1H4ESRRGMCL1

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