SCHEMBL15313817

SCHEMBL15313817

CC(C)CCCc1cc(C(=O)Nc2cc(S(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)c(O)c(O)c1O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.60
BCL2L1 Q07817 5/20 0.57
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SLC16A1 P53985 1/20 0.39
CYP2C9 P11712 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MCL1 Q07820 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
TP53 P04637 1/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL15313818 0.92 BCL2 (0.54) BCL2BCL2L1ALDH1A1LMNAPOLB
SCHEMBL15313811 0.87 BCL2 (0.71) BCL2BCL2L1ALDH1A1LMNAPOLB
SCHEMBL15313783 0.83 BCL2 (0.59) BCL2BCL2L1ALDH1A1LMNAPOLB
SCHEMBL15313793 0.82 BCL2 (0.59) BCL2BCL2L1ALDH1A1LMNAPOLB
SCHEMBL15313809 0.81 BCL2L1 (0.57) BCL2BCL2L1ALDH1A1LMNAPOLB
SCHEMBL15313789 0.81 BCL2 (0.57) BCL2BCL2L1ALDH1A1LMNAPOLB
SCHEMBL15313801 0.81 BCL2L1 (0.60) BCL2BCL2L1ALDH1A1LMNAPOLB
SCHEMBL15313785 0.80 BCL2 (0.67) BCL2BCL2L1ALDH1A1LMNAPOLB
SCHEMBL15313805 0.78 BCL2 (0.58) BCL2BCL2L1ALDH1A1LMNAPOLB
SCHEMBL15313812 0.77 BCL2L1 (0.68) 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