SCHEMBL15313834

SCHEMBL15313834

CC(C)c1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(O)c(O)c3O)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.54
CA2 P00918 1/20 0.53
GPR27 Q9NS67 10/20 0.52
AVPR2 P30518 5/20 0.50
PLG P00747 2/20 0.49
KLK1 P06870 2/20 0.49
KLK6 Q92876 2/20 0.49
KMT2A Q03164 1/20 0.47
SNCA P37840 1/20 0.47
FADS1 O60427 1/20 0.46

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
SCHEMBL15313840 0.92 FADS1 (0.49) ALOX12CA2GPR27PLGKLK1
SCHEMBL15313830 0.86 GPR27 (0.61) GPR27AVPR2KMT2ASNCA
SCHEMBL15313836 0.83 BCL2 (0.64) ALOX12GPR27AVPR2KMT2A
SCHEMBL15313841 0.81 BCL2 (0.64) ALOX12CA2GPR27AVPR2KMT2A
SCHEMBL15313835 0.80 CA12 (0.51) CA2GPR27AVPR2KMT2A
SCHEMBL15313831 0.77 GPR27 (0.61) GPR27AVPR2KMT2A
SCHEMBL15313910 0.77 MEN1 (0.50) ALOX12CA2GPR27AVPR2KMT2A
SCHEMBL15313839 0.75 CA12 (0.53) CA2KMT2A
SCHEMBL26546924 0.74 ALOX12 (0.67) ALOX12CA2
SCHEMBL15474323 0.74 CA2 (0.61) ALOX12CA2KMT2A

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