SCHEMBL15538598

SCHEMBL15538598

OCC1=C(c2ccc(Cl)cc2)CCC2(CCCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.36
PTGS1 P23219 4/20 0.36
BCL2L1 Q07817 1/20 0.36
SLC6A3 Q01959 4/20 0.33
LMNA P02545 1/20 0.33
SLC6A2 P23975 2/20 0.33
HSD11B1 P28845 1/20 0.33
NOTUM Q6P988 1/20 0.33
BCL2 P10415 1/20 0.32
SLC6A4 P31645 2/20 0.32
PDE7A Q13946 1/20 0.32
HTR1A P08908 1/20 0.31

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
SCHEMBL30857688 0.94 PTGS2 (0.41) PTGS2PTGS1BCL2L1SLC6A3SLC6A2
SCHEMBL19839271 0.85 PTGS2 (0.39) PTGS2PTGS1BCL2L1SLC6A3SLC6A2
SCHEMBL25254777 0.81 PTGS2 (0.43) PTGS2PTGS1BCL2L1SLC6A3BCL2
SCHEMBL1701048 0.80 BCL2L1 (0.37) PTGS2PTGS1BCL2L1SLC6A3SLC6A2
SCHEMBL1113744 0.80 BCL2L1 (0.52) PTGS2PTGS1BCL2L1SLC6A3SLC6A2
SCHEMBL33529723 0.78 BCL2L1 (0.40) PTGS2PTGS1BCL2L1SLC6A3LMNA
SCHEMBL22325185 0.78 BCL2L1 (0.40) PTGS2PTGS1BCL2L1SLC6A3LMNA
SCHEMBL24261125 0.76 PTGS2 (0.42) PTGS2PTGS1BCL2L1SLC6A3SLC6A2
SCHEMBL1742816 0.75 SLC6A3 (0.46) PTGS2PTGS1SLC6A3SLC6A2NOTUM
SCHEMBL1957330 0.75 SLC6A3 (0.46) PTGS2PTGS1SLC6A3SLC6A2NOTUM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013185202-A1 APOPTOSIS INDUCERS BETA PHARMA CANADA INC (CA) 2013-12-19 WO disclosed