SCHEMBL15313840

SCHEMBL15313840

CC(C)c1cccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(O)c(O)c3O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.49
PKM P14618 2/20 0.48
TERT O14746 1/20 0.48
CA2 P00918 1/20 0.47
ALOX12 P18054 1/20 0.47
AKR1C3 P42330 1/20 0.47
KIF18A Q8NI77 1/20 0.46
PLG P00747 2/20 0.44
KLK1 P06870 2/20 0.44
KLK6 Q92876 2/20 0.44
IDH2 P48735 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PGR P06401 1/20 0.43
CASP6 P55212 1/20 0.43
EGFR P00533 1/20 0.42
TNNI3K Q59H18 1/20 0.42
GPR27 Q9NS67 1/20 0.42

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
SCHEMBL15313834 0.92 ALOX12 (0.54) FADS1CA2ALOX12PLGKLK1
SCHEMBL15313839 0.83 CA12 (0.53) TERTCA2MEN1KMT2A
SCHEMBL15313830 0.77 GPR27 (0.61) MEN1KMT2AGPR27
SCHEMBL15313813 0.76 TERT (0.58) TERTCA2MEN1KMT2A
SCHEMBL15313836 0.75 BCL2 (0.64) ALOX12KMT2AGPR27
SCHEMBL15313841 0.73 BCL2 (0.64) FADS1CA2ALOX12KMT2AGPR27
SCHEMBL10169497 0.73 HTR6 (0.59) PKMCA2ALOX12MEN1KMT2A
SCHEMBL23988608 0.72 EPHB4 (0.47) PKMCA2IDH2MEN1KMT2A
SCHEMBL17774888 0.71 FADS1 (0.66) FADS1TERTCA2AKR1C3PLG
SCHEMBL23200288 0.71 KCNA5 (0.64) FADS1MEN1KMT2AGPR27

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